1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;2-methyl-1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-3H-indole

C190H231F3N32O2 — CID 161269485

IUPAC1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;2-methyl-1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-3H-indole
SMILESCC(C)c1cc(-c2ccc3c(cnn3C)c2)ncc1C(F)F.CC(C)c1cc(-c2ccc3c(cnn3C)c2)ncc1F.CC(C)c1ccc2c(c1)CC=N2.CC(C)c1ccc2c(c1)n(C)c(=O)n2C.CC(C)c1ccc2c(c1)ncn2C1CCN(C)CC1.CC(C)c1ccc2c(c1)ncn2Cc1ccccc1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncn(Cc3ccccc3)c2c1.COc1cnc(-c2ccc3c(cnn3C)c2)cc1C(C)C.Cc1cnc(-c2ccc3c(cnn3C)c2)cc1C(C)C.Cc1nc2c([nH]1)CN(C(C)C)CC2.Cc1nc2cc(C(C)C)ccc2n1C1CCN(C)CC1.Cc1nc2ccc(C(C)C)cc2n1C
InChIInChI=1S/C17H17F2N3.C17H19N3O.C17H19N3.C17H25N3.2C17H18N2.C16H16FN3.C16H23N3.C12H16N2O.C12H16N2.C11H14N2.C11H13N.C10H17N3/c1-10(2)13-7-15(20-9-14(13)17(18)19)11-4-5-16-12(6-11)8-21-22(16)3;1-11(2)14-8-15(18-10-17(14)21-4)12-5-6-16-13(7-12)9-19-20(16)3;1-11(2)15-8-16(18-9-12(15)3)13-5-6-17-14(7-13)10-19-20(17)4;1-12(2)14-5-6-17-16(11-14)18-13(3)20(17)15-7-9-19(4)10-8-15;1-13(2)15-8-9-17-16(10-15)18-12-19(17)11-14-6-4-3-5-7-14;1-13(2)15-8-9-16-17(10-15)19(12-18-16)11-14-6-4-3-5-7-14;1-10(2)13-7-15(18-9-14(13)17)11-4-5-16-12(6-11)8-19-20(16)3;1-12(2)13-4-5-16-15(10-13)17-11-19(16)14-6-8-18(3)9-7-14;1-8(2)9-5-6-10-11(7-9)14(4)12(15)13(10)3;1-8(2)10-5-6-11-12(7-10)14(4)9(3)13-11;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)13-5-4-9-10(6-13)12-8(3)11-9/h4-10,17H,1-3H3;5-11H,1-4H3;5-11H,1-4H3;5-6,11-12,15H,7-10H2,1-4H3;2*3-10,12-13H,11H2,1-2H3;4-10H,1-3H3;4-5,10-12,14H,6-9H2,1-3H3;5-8H,1-4H3;5-8H,1-4H3;4-8H,1-3H3;3-4,6-8H,5H2,1-2H3;7H,4-6H2,1-3H3,(H,11,12)
InChIKeyVDPVWQKOHJMKIU-UHFFFAOYSA-N
MW3052.15 g/mol
LogP44.26
Rot. Bonds25

About 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;2-methyl-1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-3H-indole

1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;2-methyl-1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-3H-indole (PubChem CID 161269485) has the molecular formula C190H231F3N32O2 and a molecular weight of 3052.15 g/mol. Its IUPAC name is 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;2-methyl-1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-3H-indole.

Molecular Properties

Compound Name1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;2-methyl-1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-3H-indole
PubChem CID161269485
Molecular FormulaC190H231F3N32O2
Molecular Weight3052.15 g/mol
Exact Mass3049.89
IUPAC Name1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;2-methyl-1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-3H-indole
SMILESCC(C)c1cc(-c2ccc3c(cnn3C)c2)ncc1C(F)F.CC(C)c1cc(-c2ccc3c(cnn3C)c2)ncc1F.CC(C)c1ccc2c(c1)CC=N2.CC(C)c1ccc2c(c1)n(C)c(=O)n2C.CC(C)c1ccc2c(c1)ncn2C1CCN(C)CC1.CC(C)c1ccc2c(c1)ncn2Cc1ccccc1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncn(Cc3ccccc3)c2c1.COc1cnc(-c2ccc3c(cnn3C)c2)cc1C(C)C.Cc1cnc(-c2ccc3c(cnn3C)c2)cc1C(C)C.Cc1nc2c([nH]1)CN(C(C)C)CC2.Cc1nc2cc(C(C)C)ccc2n1C1CCN(C)CC1.Cc1nc2ccc(C(C)C)cc2n1C
InChIInChI=1S/C17H17F2N3.C17H19N3O.C17H19N3.C17H25N3.2C17H18N2.C16H16FN3.C16H23N3.C12H16N2O.C12H16N2.C11H14N2.C11H13N.C10H17N3/c1-10(2)13-7-15(20-9-14(13)17(18)19)11-4-5-16-12(6-11)8-21-22(16)3;1-11(2)14-8-15(18-10-17(14)21-4)12-5-6-16-13(7-12)9-19-20(16)3;1-11(2)15-8-16(18-9-12(15)3)13-5-6-17-14(7-13)10-19-20(17)4;1-12(2)14-5-6-17-16(11-14)18-13(3)20(17)15-7-9-19(4)10-8-15;1-13(2)15-8-9-17-16(10-15)18-12-19(17)11-14-6-4-3-5-7-14;1-13(2)15-8-9-16-17(10-15)19(12-18-16)11-14-6-4-3-5-7-14;1-10(2)13-7-15(18-9-14(13)17)11-4-5-16-12(6-11)8-19-20(16)3;1-12(2)13-4-5-16-15(10-13)17-11-19(16)14-6-8-18(3)9-7-14;1-8(2)9-5-6-10-11(7-9)14(4)12(15)13(10)3;1-8(2)10-5-6-11-12(7-10)14(4)9(3)13-11;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)13-5-4-9-10(6-13)12-8(3)11-9/h4-10,17H,1-3H3;5-11H,1-4H3;5-11H,1-4H3;5-6,11-12,15H,7-10H2,1-4H3;2*3-10,12-13H,11H2,1-2H3;4-10H,1-3H3;4-5,10-12,14H,6-9H2,1-3H3;5-8H,1-4H3;5-8H,1-4H3;4-8H,1-3H3;3-4,6-8H,5H2,1-2H3;7H,4-6H2,1-3H3,(H,11,12)
InChIKeyVDPVWQKOHJMKIU-UHFFFAOYSA-N
XLogP44.26
TPSA316.68 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds25
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003052.15
LogP ≤ 544.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;2-methyl-1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-3H-indole with MolForge

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Related Compounds

4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine
CID 90066467
4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine
CID 90066469
4-[(6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine
CID 118346564
2-[4-amino-1-[2-[4-[[2-[4-amino-1-[1-[[2-[4-amino-1-[1-[[2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-fluoro-1H-indol-5-yl]oxy]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluoro-1H-indol-5-yl]oxy]propan-2-yl]pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-5-yl]oxy]-2-methylimidazol-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
CID 123808231
3-(methoxymethyl)-4-[6-[5-(6-methyl-2-pyridinyl)-2-[[4-[[6-[5-(6-methyl-2-pyridinyl)-2-[[2-(trifluoromethoxy)anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxymethyl]anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 132035434
N-[3-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 136937020
N-[3-fluoro-5-[2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136937024
N-[3-fluoro-5-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136937025
N-[3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136937029
N-[3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136937031
4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136937115
N-[3-fluoro-5-[2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136938090

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;2-methyl-1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-3H-indole?
The IUPAC name of 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;2-methyl-1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-3H-indole (CID 161269485) is 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;2-methyl-1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-3H-indole.
What is the SMILES notation for 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;2-methyl-1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-3H-indole?
The canonical SMILES for 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;2-methyl-1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-3H-indole is CC(C)c1cc(-c2ccc3c(cnn3C)c2)ncc1C(F)F.CC(C)c1cc(-c2ccc3c(cnn3C)c2)ncc1F.CC(C)c1ccc2c(c1)CC=N2.CC(C)c1ccc2c(c1)n(C)c(=O)n2C.CC(C)c1ccc2c(c1)ncn2C1CCN(C)CC1.CC(C)c1ccc2c(c1)ncn2Cc1ccccc1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncn(Cc3ccccc3)c2c1.COc1cnc(-c2ccc3c(cnn3C)c2)cc1C(C)C.Cc1cnc(-c2ccc3c(cnn3C)c2)cc1C(C)C.Cc1nc2c([nH]1)CN(C(C)C)CC2.Cc1nc2cc(C(C)C)ccc2n1C1CCN(C)CC1.Cc1nc2ccc(C(C)C)cc2n1C.
What is the InChIKey of 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;2-methyl-1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-3H-indole?
The InChIKey is VDPVWQKOHJMKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3.C17H19N3O.C17H19N3.C17H25N3.2C17H18N2.C16H16FN3.C16H23N3.C12H16N2O.C12H16N2.C11H14N2.C11H13N.C10H17N3/c1-10(2)13-7-15(20-9-14(13)17(18)19)11-4-5-16-12(6-11)8-21-22(16)3;1-11(2)14-8-15(18-10-17(14)21-4)12-5-6-16-13(7-12)9-19-20(16)3;1-11(2)15-8-16(18-9-12(15)3)13-5-6-17-14(7-13)10-19-20(17)4;1-12(2)14-5-6-17-16(11-14)18-13(3)20(17)15-7-9-19(4)10-8-15;1-13(2)15-8-9-17-16(10-15)18-12-19(17)11-14-6-4-3-5-7-14;1-13(2)15-8-9-16-17(10-15)19(12-18-16)11-14-6-4-3-5-7-14;1-10(2)13-7-15(18-9-14(13)17)11-4-5-16-12(6-11)8-19-20(16)3;1-12(2)13-4-5-16-15(10-13)17-11-19(16)14-6-8-18(3)9-7-14;1-8(2)9-5-6-10-11(7-9)14(4)12(15)13(10)3;1-8(2)10-5-6-11-12(7-10)14(4)9(3)13-11;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)13-5-4-9-10(6-13)12-8(3)11-9/h4-10,17H,1-3H3;5-11H,1-4H3;5-11H,1-4H3;5-6,11-12,15H,7-10H2,1-4H3;2*3-10,12-13H,11H2,1-2H3;4-10H,1-3H3;4-5,10-12,14H,6-9H2,1-3H3;5-8H,1-4H3;5-8H,1-4H3;4-8H,1-3H3;3-4,6-8H,5H2,1-2H3;7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;2-methyl-1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-3H-indole?
1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;2-methyl-1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-3H-indole has a molecular weight of 3052.15 g/mol, XLogP of 44.26, 25 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-propan-2-ylbenzimidazole;1-benzyl-6-propan-2-ylbenzimidazole;5-[5-(difluoromethyl)-4-propan-2-yl-2-pyridinyl]-1-methylindazole;1,2-dimethyl-6-propan-2-ylbenzimidazole;1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one;5-(5-fluoro-4-propan-2-yl-2-pyridinyl)-1-methylindazole;5-(5-methoxy-4-propan-2-yl-2-pyridinyl)-1-methylindazole;2-methyl-1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-5-(5-methyl-4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-3H-indole is sourced from PubChem (CID 161269485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).