7-[(2-cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide

C136H111F5N20O5 — CID 157124169

IUPAC7-[(2-cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide
SMILESCC(C)c1nc2ccccc2n1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.Cc1nc2ccccc2n1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(C4CC4)nc4ccccc43)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(C4CCC4)nc4ccccc43)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(C4CCCC4)nc4ccccc43)cc2n1
InChIInChI=1S/C29H25FN4O.C28H23FN4O.C27H21FN4O.C27H23FN4O.C25H19FN4O/c30-21-12-10-19(11-13-21)23-16-26(28(31)35)32-25-15-18(9-14-22(23)25)17-34-27-8-4-3-7-24(27)33-29(34)20-5-1-2-6-20;29-20-11-9-18(10-12-20)22-15-25(27(30)34)31-24-14-17(8-13-21(22)24)16-33-26-7-2-1-6-23(26)32-28(33)19-4-3-5-19;28-19-10-8-17(9-11-19)21-14-24(26(29)33)30-23-13-16(5-12-20(21)23)15-32-25-4-2-1-3-22(25)31-27(32)18-6-7-18;1-16(2)27-31-22-5-3-4-6-25(22)32(27)15-17-7-12-20-21(18-8-10-19(28)11-9-18)14-24(26(29)33)30-23(20)13-17;1-15-28-21-4-2-3-5-24(21)30(15)14-16-6-11-19-20(17-7-9-18(26)10-8-17)13-23(25(27)31)29-22(19)12-16/h3-4,7-16,20H,1-2,5-6,17H2,(H2,31,35);1-2,6-15,19H,3-5,16H2,(H2,30,34);1-5,8-14,18H,6-7,15H2,(H2,29,33);3-14,16H,15H2,1-2H3,(H2,29,33);2-13H,14H2,1H3,(H2,27,31)
InChIKeyAIHZWCXUKOEZAL-UHFFFAOYSA-N
MW2200.51 g/mol
LogP27.92
Rot. Bonds24

About 7-[(2-cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide

7-[(2-cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide (PubChem CID 157124169) has the molecular formula C136H111F5N20O5 and a molecular weight of 2200.51 g/mol. Its IUPAC name is 7-[(2-cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[(2-cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide
PubChem CID157124169
Molecular FormulaC136H111F5N20O5
Molecular Weight2200.51 g/mol
Exact Mass2198.90
IUPAC Name7-[(2-cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide
SMILESCC(C)c1nc2ccccc2n1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.Cc1nc2ccccc2n1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(C4CC4)nc4ccccc43)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(C4CCC4)nc4ccccc43)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(C4CCCC4)nc4ccccc43)cc2n1
InChIInChI=1S/C29H25FN4O.C28H23FN4O.C27H21FN4O.C27H23FN4O.C25H19FN4O/c30-21-12-10-19(11-13-21)23-16-26(28(31)35)32-25-15-18(9-14-22(23)25)17-34-27-8-4-3-7-24(27)33-29(34)20-5-1-2-6-20;29-20-11-9-18(10-12-20)22-15-25(27(30)34)31-24-14-17(8-13-21(22)24)16-33-26-7-2-1-6-23(26)32-28(33)19-4-3-5-19;28-19-10-8-17(9-11-19)21-14-24(26(29)33)30-23-13-16(5-12-20(21)23)15-32-25-4-2-1-3-22(25)31-27(32)18-6-7-18;1-16(2)27-31-22-5-3-4-6-25(22)32(27)15-17-7-12-20-21(18-8-10-19(28)11-9-18)14-24(26(29)33)30-23(20)13-17;1-15-28-21-4-2-3-5-24(21)30(15)14-16-6-11-19-20(17-7-9-18(26)10-8-17)13-23(25(27)31)29-22(19)12-16/h3-4,7-16,20H,1-2,5-6,17H2,(H2,31,35);1-2,6-15,19H,3-5,16H2,(H2,30,34);1-5,8-14,18H,6-7,15H2,(H2,29,33);3-14,16H,15H2,1-2H3,(H2,29,33);2-13H,14H2,1H3,(H2,27,31)
InChIKeyAIHZWCXUKOEZAL-UHFFFAOYSA-N
XLogP27.92
TPSA369.00 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002200.51
LogP ≤ 527.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 7-[(2-cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide with MolForge

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Related Compounds

7-[(2-Cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide
CID 89554810
7-[(2-Cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide
CID 89554822
7-[(2-Cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide
CID 89554895
2-N,9-N-bis[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]-1,10-phenanthroline-2,9-dicarboxamide;bis(2,2,2-trifluoroacetic acid)
CID 168290096
7-[(2-Chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(2,2,2-trifluoroethyl)benzimidazol-1-yl]methyl]quinoline-2-carboxamide
CID 157319707
5-benzyl-1-methyl-2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;5-benzyl-1-methyl-2-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridin-5-ium;4-N-methylpyridine-3,4-diamine;2-[4-[2-[1-methyl-2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-quinolin-5-ylethanone;1-methyl-2-(3,3,3-trifluoropropyl)imidazo[4,5-c]pyridine;1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-(2-oxo-2-quinolin-5-ylethyl)cyclohexyl]acetaldehyde;5,5,5-trifluoro-1-[4-(methylamino)-3-pyridinyl]pentan-2-one;bromide
CID 157341880
2-[2-[5-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylbenzimidazol-2-yl]indol-1-yl]acetonitrile;[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-ethynylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;bis([(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone);[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-propan-2-ylindol-2-yl)benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone
CID 157678232
7-[(2-cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-[(2R)-1,1,1-trifluoro-2-hydroxybutan-2-yl]imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]imidazol-1-yl]methyl]quinoline-2-carboxamide
CID 157911576
1-[[2-Carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]benzimidazole-2-sulfonic acid;4-(4-fluorophenyl)-7-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(2,2,2-trifluoroethyl)benzimidazol-1-yl]methyl]quinoline-2-carboxamide
CID 158275172
CID 158727719
CID 158727719
CID 160026676
CID 160026676
CID 160416912
CID 160416912

Frequently Asked Questions

What is the IUPAC name of 7-[(2-cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide?
The IUPAC name of 7-[(2-cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide (CID 157124169) is 7-[(2-cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for 7-[(2-cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide?
The canonical SMILES for 7-[(2-cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide is CC(C)c1nc2ccccc2n1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.Cc1nc2ccccc2n1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(C4CC4)nc4ccccc43)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(C4CCC4)nc4ccccc43)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(C4CCCC4)nc4ccccc43)cc2n1.
What is the InChIKey of 7-[(2-cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide?
The InChIKey is AIHZWCXUKOEZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4O.C28H23FN4O.C27H21FN4O.C27H23FN4O.C25H19FN4O/c30-21-12-10-19(11-13-21)23-16-26(28(31)35)32-25-15-18(9-14-22(23)25)17-34-27-8-4-3-7-24(27)33-29(34)20-5-1-2-6-20;29-20-11-9-18(10-12-20)22-15-25(27(30)34)31-24-14-17(8-13-21(22)24)16-33-26-7-2-1-6-23(26)32-28(33)19-4-3-5-19;28-19-10-8-17(9-11-19)21-14-24(26(29)33)30-23-13-16(5-12-20(21)23)15-32-25-4-2-1-3-22(25)31-27(32)18-6-7-18;1-16(2)27-31-22-5-3-4-6-25(22)32(27)15-17-7-12-20-21(18-8-10-19(28)11-9-18)14-24(26(29)33)30-23(20)13-17;1-15-28-21-4-2-3-5-24(21)30(15)14-16-6-11-19-20(17-7-9-18(26)10-8-17)13-23(25(27)31)29-22(19)12-16/h3-4,7-16,20H,1-2,5-6,17H2,(H2,31,35);1-2,6-15,19H,3-5,16H2,(H2,30,34);1-5,8-14,18H,6-7,15H2,(H2,29,33);3-14,16H,15H2,1-2H3,(H2,29,33);2-13H,14H2,1H3,(H2,27,31).
What are the key properties of 7-[(2-cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide?
7-[(2-cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide has a molecular weight of 2200.51 g/mol, XLogP of 27.92, 24 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-cyclobutylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopentylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-cyclopropylbenzimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-propan-2-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 157124169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).