4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C90H96F2N14O6 — CID 161145713

IUPAC4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1CCC(=O)N1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1cccc(C(C)c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c1.Cc1noc(C)c1-c1cc(C(C)c2ccc(C(C)(F)F)cc2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(N2C(=O)CCC2C)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C25H25F2N3O.C24H25N3O.C21H24N4O2.C20H22N4O2/c1-13(16-7-9-19(10-8-16)25(4,26)27)20-11-18(22-14(2)30-31-15(22)3)12-21-23(20)29-24(28-21)17-5-6-17;1-13-6-5-7-18(10-13)14(2)20-11-19(22-15(3)27-28-16(22)4)12-21-23(20)26-24(25-21)17-8-9-17;1-4-15-7-8-18(26)25(15)17-10-14(19-11(2)24-27-12(19)3)9-16-20(17)23-21(22-16)13-5-6-13;1-10-4-7-17(25)24(10)16-9-14(18-11(2)23-26-12(18)3)8-15-19(16)22-20(21-15)13-5-6-13/h7-13,17H,5-6H2,1-4H3,(H,28,29);5-7,10-12,14,17H,8-9H2,1-4H3,(H,25,26);9-10,13,15H,4-8H2,1-3H3,(H,22,23);8-10,13H,4-7H2,1-3H3,(H,21,22)
InChIKeyUOACQQBEBURYGG-UHFFFAOYSA-N
MW1507.85 g/mol
LogP21.99
Rot. Bonds16

About 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 161145713) has the molecular formula C90H96F2N14O6 and a molecular weight of 1507.85 g/mol. Its IUPAC name is 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID161145713
Molecular FormulaC90H96F2N14O6
Molecular Weight1507.85 g/mol
Exact Mass1506.76
IUPAC Name4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1CCC(=O)N1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1cccc(C(C)c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c1.Cc1noc(C)c1-c1cc(C(C)c2ccc(C(C)(F)F)cc2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(N2C(=O)CCC2C)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C25H25F2N3O.C24H25N3O.C21H24N4O2.C20H22N4O2/c1-13(16-7-9-19(10-8-16)25(4,26)27)20-11-18(22-14(2)30-31-15(22)3)12-21-23(20)29-24(28-21)17-5-6-17;1-13-6-5-7-18(10-13)14(2)20-11-19(22-15(3)27-28-16(22)4)12-21-23(20)26-24(25-21)17-8-9-17;1-4-15-7-8-18(26)25(15)17-10-14(19-11(2)24-27-12(19)3)9-16-20(17)23-21(22-16)13-5-6-13;1-10-4-7-17(25)24(10)16-9-14(18-11(2)23-26-12(18)3)8-15-19(16)22-20(21-15)13-5-6-13/h7-13,17H,5-6H2,1-4H3,(H,28,29);5-7,10-12,14,17H,8-9H2,1-4H3,(H,25,26);9-10,13,15H,4-8H2,1-3H3,(H,22,23);8-10,13H,4-7H2,1-3H3,(H,21,22)
InChIKeyUOACQQBEBURYGG-UHFFFAOYSA-N
XLogP21.99
TPSA259.46 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001507.85
LogP ≤ 521.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Cyclopropyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-yl)-5-methylpyrrolidin-2-one
CID 86281740
1-(2-Cyclopropyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-yl)-5-ethylpyrrolidin-2-one
CID 86281872
(S)-1-(2-Cyclopropyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-yl)-5-(trifluoromethyl)pyrrolidin-2-one
CID 86281873
1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-(trifluoromethyl)pyrrolidin-2-one
CID 117689481
(5S)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-(1,1-difluoropropyl)pyrrolidin-2-one
CID 117714073
(5S)-1-(3,4-difluorophenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one
CID 134457227
(5S)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-pyrrolidin-3-yl]benzimidazol-2-yl]pyrrolidin-2-one
CID 134457279
(5S)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-pyrrolidin-3-yl]benzimidazol-2-yl]pyrrolidin-2-one
CID 134457292
(5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CID 134457393
(5S)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pyrrolidin-3-ylbenzimidazol-2-yl]pyrrolidin-2-one
CID 134457419
(5S)-1-(4,5-difluoro-2-methylphenyl)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one
CID 134457427
(5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 134457445

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 161145713) is 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is CCC1CCC(=O)N1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1cccc(C(C)c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c1.Cc1noc(C)c1-c1cc(C(C)c2ccc(C(C)(F)F)cc2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(N2C(=O)CCC2C)c2nc(C3CC3)[nH]c2c1.
What is the InChIKey of 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is UOACQQBEBURYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O.C24H25N3O.C21H24N4O2.C20H22N4O2/c1-13(16-7-9-19(10-8-16)25(4,26)27)20-11-18(22-14(2)30-31-15(22)3)12-21-23(20)29-24(28-21)17-5-6-17;1-13-6-5-7-18(10-13)14(2)20-11-19(22-15(3)27-28-16(22)4)12-21-23(20)26-24(25-21)17-8-9-17;1-4-15-7-8-18(26)25(15)17-10-14(19-11(2)24-27-12(19)3)9-16-20(17)23-21(22-16)13-5-6-13;1-10-4-7-17(25)24(10)16-9-14(18-11(2)23-26-12(18)3)8-15-19(16)22-20(21-15)13-5-6-13/h7-13,17H,5-6H2,1-4H3,(H,28,29);5-7,10-12,14,17H,8-9H2,1-4H3,(H,25,26);9-10,13,15H,4-8H2,1-3H3,(H,22,23);8-10,13H,4-7H2,1-3H3,(H,21,22).
What are the key properties of 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1507.85 g/mol, XLogP of 21.99, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-7-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;4-[2-cyclopropyl-7-[1-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 161145713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).