2-[1-[(4-chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chloro-2-methylphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid

C83H63Cl3N12O10 — CID 157318148

IUPAC2-[1-[(4-chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chloro-2-methylphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid
SMILESCOc1cc(Cl)ccc1Cn1c(-c2cc(C(=O)O)ccn2)nc2ccccc21.COc1ccc(Cn2c(-c3cc(C(=O)O)ccn3)nc3ccccc32)cc1.Cc1cc(Cl)ccc1Cn1c(-c2cc(C(=O)O)ccn2)nc2ccccc21.O=C(O)c1ccnc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H16ClN3O3.C21H16ClN3O2.C21H17N3O3.C20H14ClN3O2/c1-28-19-11-15(22)7-6-14(19)12-25-18-5-3-2-4-16(18)24-20(25)17-10-13(21(26)27)8-9-23-17;1-13-10-16(22)7-6-15(13)12-25-19-5-3-2-4-17(19)24-20(25)18-11-14(21(26)27)8-9-23-18;1-27-16-8-6-14(7-9-16)13-24-19-5-3-2-4-17(19)23-20(24)18-12-15(21(25)26)10-11-22-18;21-15-7-5-13(6-8-15)12-24-18-4-2-1-3-16(18)23-19(24)17-11-14(20(25)26)9-10-22-17/h2-11H,12H2,1H3,(H,26,27);2-11H,12H2,1H3,(H,26,27);2-12H,13H2,1H3,(H,25,26);1-11H,12H2,(H,25,26)
InChIKeyBDVSLISAYRTJRZ-UHFFFAOYSA-N
MW1494.85 g/mol
LogP17.67
Rot. Bonds18

About 2-[1-[(4-chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chloro-2-methylphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid

2-[1-[(4-chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chloro-2-methylphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid (PubChem CID 157318148) has the molecular formula C83H63Cl3N12O10 and a molecular weight of 1494.85 g/mol. Its IUPAC name is 2-[1-[(4-chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chloro-2-methylphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(4-chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chloro-2-methylphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid
PubChem CID157318148
Molecular FormulaC83H63Cl3N12O10
Molecular Weight1494.85 g/mol
Exact Mass1492.39
IUPAC Name2-[1-[(4-chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chloro-2-methylphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid
SMILESCOc1cc(Cl)ccc1Cn1c(-c2cc(C(=O)O)ccn2)nc2ccccc21.COc1ccc(Cn2c(-c3cc(C(=O)O)ccn3)nc3ccccc32)cc1.Cc1cc(Cl)ccc1Cn1c(-c2cc(C(=O)O)ccn2)nc2ccccc21.O=C(O)c1ccnc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H16ClN3O3.C21H16ClN3O2.C21H17N3O3.C20H14ClN3O2/c1-28-19-11-15(22)7-6-14(19)12-25-18-5-3-2-4-16(18)24-20(25)17-10-13(21(26)27)8-9-23-17;1-13-10-16(22)7-6-15(13)12-25-19-5-3-2-4-17(19)24-20(25)18-11-14(21(26)27)8-9-23-18;1-27-16-8-6-14(7-9-16)13-24-19-5-3-2-4-17(19)23-20(24)18-12-15(21(25)26)10-11-22-18;21-15-7-5-13(6-8-15)12-24-18-4-2-1-3-16(18)23-19(24)17-11-14(20(25)26)9-10-22-17/h2-11H,12H2,1H3,(H,26,27);2-11H,12H2,1H3,(H,26,27);2-12H,13H2,1H3,(H,25,26);1-11H,12H2,(H,25,26)
InChIKeyBDVSLISAYRTJRZ-UHFFFAOYSA-N
XLogP17.67
TPSA290.50 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001494.85
LogP ≤ 517.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 2-[1-[(4-chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chloro-2-methylphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

2-[1-[(4-Chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid
CID 137516301
2-[1-[2-(4-Chloro-2-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid
CID 137516910
4,5-Dichloro-2-[4-[1-(2-methoxyphenyl)-7-[1-(2-methoxyphenyl)-3-[1-[(4-methylphenyl)methylcarbamoyl]piperidin-4-yl]imidazo[1,5-a]pyridin-6-yl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]benzoic acid
CID 143631175
2-[1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]-4-(2H-tetrazol-5-yl)pyridine;2-[1-[[7-(4-ethyl-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[[7-(4-ethyl-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]imidazol-2-yl]pyridine-4-carboxylate;2-[1-[(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]imidazol-2-yl]pyridine-4-carboxylic acid
CID 157641297
2-chloro-5-[5-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]pyridine;6-chloro-N-prop-2-ynylpyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenol;(E)-7-[2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenoxy]-5-methylhept-5-en-2-one;(E)-6-[2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenoxy]-4-methylhex-4-enoic acid
CID 158117874
2-[5-Bromo-1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[5-bromo-1-[(4-phenoxyphenyl)methyl]imidazol-2-yl]pyridine-4-carboxylate
CID 158606774
2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylate;2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid
CID 159062196
2-[5-[[4-(3-Chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[4-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[5-[[4-(3-chloro-5-methylphenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[2-methoxy-4-[[4-(2-phenylethylamino)piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate
CID 159189995
2-[1-[2-(4-Chloro-2-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chloro-2-methylphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid
CID 159456607
2-[5-Bromo-1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[5-bromo-1-[(4-phenoxyphenyl)methyl]imidazol-2-yl]pyridine-4-carboxylate;2-[1-[(4-phenoxyphenyl)methyl]imidazol-2-yl]pyridine-4-carboxylic acid
CID 159651728
2-[5-[2-[4-(3-Chloro-5-methylphenyl)piperidin-1-yl]ethyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[5-[2-[4-(3-chloro-5-methylphenyl)piperidin-1-yl]ethyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylate;bis(methyl 2-[1-[2-(4-fluorophenyl)ethyl]-5-propylimidazol-2-yl]pyridine-4-carboxylate);methyl 2-[1-[[2-methoxy-4-[[4-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)amino]piperidin-1-yl]methyl]phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate
CID 160018749
bis(2-[1-[[7-(4-ethyl-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid);methyl 2-[1-[[7-(4-ethyl-N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]benzimidazol-2-yl]pyridine-4-carboxylate
CID 160194164

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chloro-2-methylphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[(4-chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chloro-2-methylphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid (CID 157318148) is 2-[1-[(4-chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chloro-2-methylphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(4-chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chloro-2-methylphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[(4-chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chloro-2-methylphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid is COc1cc(Cl)ccc1Cn1c(-c2cc(C(=O)O)ccn2)nc2ccccc21.COc1ccc(Cn2c(-c3cc(C(=O)O)ccn3)nc3ccccc32)cc1.Cc1cc(Cl)ccc1Cn1c(-c2cc(C(=O)O)ccn2)nc2ccccc21.O=C(O)c1ccnc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[1-[(4-chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chloro-2-methylphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid?
The InChIKey is BDVSLISAYRTJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3.C21H16ClN3O2.C21H17N3O3.C20H14ClN3O2/c1-28-19-11-15(22)7-6-14(19)12-25-18-5-3-2-4-16(18)24-20(25)17-10-13(21(26)27)8-9-23-17;1-13-10-16(22)7-6-15(13)12-25-19-5-3-2-4-17(19)24-20(25)18-11-14(21(26)27)8-9-23-18;1-27-16-8-6-14(7-9-16)13-24-19-5-3-2-4-17(19)23-20(24)18-12-15(21(25)26)10-11-22-18;21-15-7-5-13(6-8-15)12-24-18-4-2-1-3-16(18)23-19(24)17-11-14(20(25)26)9-10-22-17/h2-11H,12H2,1H3,(H,26,27);2-11H,12H2,1H3,(H,26,27);2-12H,13H2,1H3,(H,25,26);1-11H,12H2,(H,25,26).
What are the key properties of 2-[1-[(4-chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chloro-2-methylphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid?
2-[1-[(4-chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chloro-2-methylphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid has a molecular weight of 1494.85 g/mol, XLogP of 17.67, 18 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-2-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chloro-2-methylphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 157318148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).