1-(4,4-difluorocyclohexyl)-2-methylbenzimidazole-5-carboxylic acid;1-(3,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid;1-ethyl-2-methylbenzimidazole-5-carboxylic acid;2-methyl-1-phenylbenzimidazole-5-carboxylic acid;2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid;2-methyl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid

C84H72F10N12O12 — CID 161128945

IUPAC1-(4,4-difluorocyclohexyl)-2-methylbenzimidazole-5-carboxylic acid;1-(3,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid;1-ethyl-2-methylbenzimidazole-5-carboxylic acid;2-methyl-1-phenylbenzimidazole-5-carboxylic acid;2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid;2-methyl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid
SMILESCCn1c(C)nc2cc(C(=O)O)ccc21.Cc1nc2cc(C(=O)O)ccc2n1-c1ccc(C(F)(F)F)cc1.Cc1nc2cc(C(=O)O)ccc2n1-c1ccc(F)c(F)c1.Cc1nc2cc(C(=O)O)ccc2n1-c1ccccc1.Cc1nc2cc(C(=O)O)ccc2n1C1CCC(F)(F)CC1.Cc1nc2cc(C(=O)O)ccc2n1CCC(F)(F)F
InChIInChI=1S/C16H11F3N2O2.C15H10F2N2O2.C15H16F2N2O2.C15H12N2O2.C12H11F3N2O2.C11H12N2O2/c1-9-20-13-8-10(15(22)23)2-7-14(13)21(9)12-5-3-11(4-6-12)16(17,18)19;1-8-18-13-6-9(15(20)21)2-5-14(13)19(8)10-3-4-11(16)12(17)7-10;1-9-18-12-8-10(14(20)21)2-3-13(12)19(9)11-4-6-15(16,17)7-5-11;1-10-16-13-9-11(15(18)19)7-8-14(13)17(10)12-5-3-2-4-6-12;1-7-16-9-6-8(11(18)19)2-3-10(9)17(7)5-4-12(13,14)15;1-3-13-7(2)12-9-6-8(11(14)15)4-5-10(9)13/h2-8H,1H3,(H,22,23);2-7H,1H3,(H,20,21);2-3,8,11H,4-7H2,1H3,(H,20,21);2-9H,1H3,(H,18,19);2-3,6H,4-5H2,1H3,(H,18,19);4-6H,3H2,1-2H3,(H,14,15)
InChIKeyULXTYCGGNNQTHH-UHFFFAOYSA-N
MW1631.55 g/mol
LogP19.24
Rot. Bonds13

About 1-(4,4-difluorocyclohexyl)-2-methylbenzimidazole-5-carboxylic acid;1-(3,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid;1-ethyl-2-methylbenzimidazole-5-carboxylic acid;2-methyl-1-phenylbenzimidazole-5-carboxylic acid;2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid;2-methyl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid

1-(4,4-difluorocyclohexyl)-2-methylbenzimidazole-5-carboxylic acid;1-(3,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid;1-ethyl-2-methylbenzimidazole-5-carboxylic acid;2-methyl-1-phenylbenzimidazole-5-carboxylic acid;2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid;2-methyl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid (PubChem CID 161128945) has the molecular formula C84H72F10N12O12 and a molecular weight of 1631.55 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-methylbenzimidazole-5-carboxylic acid;1-(3,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid;1-ethyl-2-methylbenzimidazole-5-carboxylic acid;2-methyl-1-phenylbenzimidazole-5-carboxylic acid;2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid;2-methyl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-methylbenzimidazole-5-carboxylic acid;1-(3,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid;1-ethyl-2-methylbenzimidazole-5-carboxylic acid;2-methyl-1-phenylbenzimidazole-5-carboxylic acid;2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid;2-methyl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid
PubChem CID161128945
Molecular FormulaC84H72F10N12O12
Molecular Weight1631.55 g/mol
Exact Mass1630.52
IUPAC Name1-(4,4-difluorocyclohexyl)-2-methylbenzimidazole-5-carboxylic acid;1-(3,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid;1-ethyl-2-methylbenzimidazole-5-carboxylic acid;2-methyl-1-phenylbenzimidazole-5-carboxylic acid;2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid;2-methyl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid
SMILESCCn1c(C)nc2cc(C(=O)O)ccc21.Cc1nc2cc(C(=O)O)ccc2n1-c1ccc(C(F)(F)F)cc1.Cc1nc2cc(C(=O)O)ccc2n1-c1ccc(F)c(F)c1.Cc1nc2cc(C(=O)O)ccc2n1-c1ccccc1.Cc1nc2cc(C(=O)O)ccc2n1C1CCC(F)(F)CC1.Cc1nc2cc(C(=O)O)ccc2n1CCC(F)(F)F
InChIInChI=1S/C16H11F3N2O2.C15H10F2N2O2.C15H16F2N2O2.C15H12N2O2.C12H11F3N2O2.C11H12N2O2/c1-9-20-13-8-10(15(22)23)2-7-14(13)21(9)12-5-3-11(4-6-12)16(17,18)19;1-8-18-13-6-9(15(20)21)2-5-14(13)19(8)10-3-4-11(16)12(17)7-10;1-9-18-12-8-10(14(20)21)2-3-13(12)19(9)11-4-6-15(16,17)7-5-11;1-10-16-13-9-11(15(18)19)7-8-14(13)17(10)12-5-3-2-4-6-12;1-7-16-9-6-8(11(18)19)2-3-10(9)17(7)5-4-12(13,14)15;1-3-13-7(2)12-9-6-8(11(14)15)4-5-10(9)13/h2-8H,1H3,(H,22,23);2-7H,1H3,(H,20,21);2-3,8,11H,4-7H2,1H3,(H,20,21);2-9H,1H3,(H,18,19);2-3,6H,4-5H2,1H3,(H,18,19);4-6H,3H2,1-2H3,(H,14,15)
InChIKeyULXTYCGGNNQTHH-UHFFFAOYSA-N
XLogP19.24
TPSA330.72 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001631.55
LogP ≤ 519.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 1-(4,4-difluorocyclohexyl)-2-methylbenzimidazole-5-carboxylic acid;1-(3,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid;1-ethyl-2-methylbenzimidazole-5-carboxylic acid;2-methyl-1-phenylbenzimidazole-5-carboxylic acid;2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid;2-methyl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid 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-(Dimethylamino)ethyl]-2-(9-ethyl-9H-carbazol-3-yl)-1H-benzimidazole-5-carboxylic acid
CID 76281184
2-(9-Ethyl-9H-carbazol-3-yl)-1-isopropyl-1H-benzimidazole-5-carboxylic acid
CID 76283950
2-(9-Ethyl-9H-carbazol-3-y1)-1-methyl-1 H-benzimidazole-5-carboxylic acid
CID 76283951
1-Cyclohexyl-2-phenylbenzimidazole-5-carboxylic acid
CID 491099
2-(4-Amino-phenyl)-1-{3-[2-(4-fluoro-phenyl)-5-trifluoromethyl-benzoimidazol-1-yl]-propyl}-1H-benzoimidazole-5-carboxylic acid
CID 16745863
1-Cyclohexyl-2-(1-methylpyrrol-2-yl)benzimidazole-5-carboxylic acid
CID 491117
1-(Cyclopropylmethyl)-2-(9-ethyl-9H-carbazol-3-yl)-4-fluoro-1H-benzimidazole-5-carboxylic acid
CID 90202419
1-(Cyclopropylmethyl)-2-(9-ethyl-9H-carbazol-3-yl)-6-fluoro-1H-benzimidazole-5-carboxylic acid
CID 90202677
Acetate 6-carboxy-3-{3-[2-(4-fluoro-phenyl)-5-trifluoromethyl-benzoimidazol-1-yl]-propyl}-1-(4-methoxy-benzyl)-2-(4-methoxy-phenyl)-3H-benzoimidazol-1-ium
CID 16745857
2-(9-Ethylcarbazol-3-yl)-1-phenylbenzimidazole-5-carboxylic acid
CID 155568276
2-(2,6-Difluorophenyl)-3-[(2,6-difluorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 503728
2-(3-isopropyl-2-oxo-2,3-dihydro-benzoimidazol-1-ylmethyl)-1-(3-methyl-butyl)-1H-benzoimidazole-5 carboxylic acid
CID 22349341

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-methylbenzimidazole-5-carboxylic acid;1-(3,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid;1-ethyl-2-methylbenzimidazole-5-carboxylic acid;2-methyl-1-phenylbenzimidazole-5-carboxylic acid;2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid;2-methyl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-methylbenzimidazole-5-carboxylic acid;1-(3,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid;1-ethyl-2-methylbenzimidazole-5-carboxylic acid;2-methyl-1-phenylbenzimidazole-5-carboxylic acid;2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid;2-methyl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid (CID 161128945) is 1-(4,4-difluorocyclohexyl)-2-methylbenzimidazole-5-carboxylic acid;1-(3,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid;1-ethyl-2-methylbenzimidazole-5-carboxylic acid;2-methyl-1-phenylbenzimidazole-5-carboxylic acid;2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid;2-methyl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-methylbenzimidazole-5-carboxylic acid;1-(3,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid;1-ethyl-2-methylbenzimidazole-5-carboxylic acid;2-methyl-1-phenylbenzimidazole-5-carboxylic acid;2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid;2-methyl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-methylbenzimidazole-5-carboxylic acid;1-(3,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid;1-ethyl-2-methylbenzimidazole-5-carboxylic acid;2-methyl-1-phenylbenzimidazole-5-carboxylic acid;2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid;2-methyl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid is CCn1c(C)nc2cc(C(=O)O)ccc21.Cc1nc2cc(C(=O)O)ccc2n1-c1ccc(C(F)(F)F)cc1.Cc1nc2cc(C(=O)O)ccc2n1-c1ccc(F)c(F)c1.Cc1nc2cc(C(=O)O)ccc2n1-c1ccccc1.Cc1nc2cc(C(=O)O)ccc2n1C1CCC(F)(F)CC1.Cc1nc2cc(C(=O)O)ccc2n1CCC(F)(F)F.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-methylbenzimidazole-5-carboxylic acid;1-(3,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid;1-ethyl-2-methylbenzimidazole-5-carboxylic acid;2-methyl-1-phenylbenzimidazole-5-carboxylic acid;2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid;2-methyl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid?
The InChIKey is ULXTYCGGNNQTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2.C15H10F2N2O2.C15H16F2N2O2.C15H12N2O2.C12H11F3N2O2.C11H12N2O2/c1-9-20-13-8-10(15(22)23)2-7-14(13)21(9)12-5-3-11(4-6-12)16(17,18)19;1-8-18-13-6-9(15(20)21)2-5-14(13)19(8)10-3-4-11(16)12(17)7-10;1-9-18-12-8-10(14(20)21)2-3-13(12)19(9)11-4-6-15(16,17)7-5-11;1-10-16-13-9-11(15(18)19)7-8-14(13)17(10)12-5-3-2-4-6-12;1-7-16-9-6-8(11(18)19)2-3-10(9)17(7)5-4-12(13,14)15;1-3-13-7(2)12-9-6-8(11(14)15)4-5-10(9)13/h2-8H,1H3,(H,22,23);2-7H,1H3,(H,20,21);2-3,8,11H,4-7H2,1H3,(H,20,21);2-9H,1H3,(H,18,19);2-3,6H,4-5H2,1H3,(H,18,19);4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-methylbenzimidazole-5-carboxylic acid;1-(3,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid;1-ethyl-2-methylbenzimidazole-5-carboxylic acid;2-methyl-1-phenylbenzimidazole-5-carboxylic acid;2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid;2-methyl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid?
1-(4,4-difluorocyclohexyl)-2-methylbenzimidazole-5-carboxylic acid;1-(3,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid;1-ethyl-2-methylbenzimidazole-5-carboxylic acid;2-methyl-1-phenylbenzimidazole-5-carboxylic acid;2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid;2-methyl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid has a molecular weight of 1631.55 g/mol, XLogP of 19.24, 13 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-methylbenzimidazole-5-carboxylic acid;1-(3,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid;1-ethyl-2-methylbenzimidazole-5-carboxylic acid;2-methyl-1-phenylbenzimidazole-5-carboxylic acid;2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid;2-methyl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 161128945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).