2-chloro-5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-methylbenzoic acid)

C97H101ClF2N20O10 — CID 159956502

IUPAC2-chloro-5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-methylbenzoic acid)
SMILESCN(C)CCc1nc(-c2cc(F)cc(C(=O)O)c2)c(-c2ccncc2)[nH]1.CN(C)CCc1nc(-c2ccc(Cl)c(C(=O)O)c2)c(-c2ccncc2)[nH]1.CN(C)CCc1nc(-c2ccc(F)c(C(=O)O)c2)c(-c2ccncc2)[nH]1.Cc1ccc(-c2nc(CCN(C)C)[nH]c2-c2ccncc2)cc1C(=O)O.Cc1ccc(-c2nc(CCN(C)C)[nH]c2-c2ccncc2)cc1C(=O)O
InChIInChI=1S/2C20H22N4O2.C19H19ClN4O2.2C19H19FN4O2/c2*1-13-4-5-15(12-16(13)20(25)26)19-18(14-6-9-21-10-7-14)22-17(23-19)8-11-24(2)3;1-24(2)10-7-16-22-17(12-5-8-21-9-6-12)18(23-16)13-3-4-15(20)14(11-13)19(25)26;1-24(2)8-5-16-22-17(12-3-6-21-7-4-12)18(23-16)13-9-14(19(25)26)11-15(20)10-13;1-24(2)10-7-16-22-17(12-5-8-21-9-6-12)18(23-16)13-3-4-15(20)14(11-13)19(25)26/h2*4-7,9-10,12H,8,11H2,1-3H3,(H,22,23)(H,25,26);3-6,8-9,11H,7,10H2,1-2H3,(H,22,23)(H,25,26);3-4,6-7,9-11H,5,8H2,1-2H3,(H,22,23)(H,25,26);3-6,8-9,11H,7,10H2,1-2H3,(H,22,23)(H,25,26)
InChIKeyOCTYXLSLVXMSOO-UHFFFAOYSA-N
MW1780.45 g/mol
LogP16.25
Rot. Bonds30

About 2-chloro-5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-methylbenzoic acid)

2-chloro-5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-methylbenzoic acid) (PubChem CID 159956502) has the molecular formula C97H101ClF2N20O10 and a molecular weight of 1780.45 g/mol. Its IUPAC name is 2-chloro-5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-methylbenzoic acid).

Molecular Properties

Compound Name2-chloro-5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-methylbenzoic acid)
PubChem CID159956502
Molecular FormulaC97H101ClF2N20O10
Molecular Weight1780.45 g/mol
Exact Mass1778.77
IUPAC Name2-chloro-5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-methylbenzoic acid)
SMILESCN(C)CCc1nc(-c2cc(F)cc(C(=O)O)c2)c(-c2ccncc2)[nH]1.CN(C)CCc1nc(-c2ccc(Cl)c(C(=O)O)c2)c(-c2ccncc2)[nH]1.CN(C)CCc1nc(-c2ccc(F)c(C(=O)O)c2)c(-c2ccncc2)[nH]1.Cc1ccc(-c2nc(CCN(C)C)[nH]c2-c2ccncc2)cc1C(=O)O.Cc1ccc(-c2nc(CCN(C)C)[nH]c2-c2ccncc2)cc1C(=O)O
InChIInChI=1S/2C20H22N4O2.C19H19ClN4O2.2C19H19FN4O2/c2*1-13-4-5-15(12-16(13)20(25)26)19-18(14-6-9-21-10-7-14)22-17(23-19)8-11-24(2)3;1-24(2)10-7-16-22-17(12-5-8-21-9-6-12)18(23-16)13-3-4-15(20)14(11-13)19(25)26;1-24(2)8-5-16-22-17(12-3-6-21-7-4-12)18(23-16)13-9-14(19(25)26)11-15(20)10-13;1-24(2)10-7-16-22-17(12-5-8-21-9-6-12)18(23-16)13-3-4-15(20)14(11-13)19(25)26/h2*4-7,9-10,12H,8,11H2,1-3H3,(H,22,23)(H,25,26);3-6,8-9,11H,7,10H2,1-2H3,(H,22,23)(H,25,26);3-4,6-7,9-11H,5,8H2,1-2H3,(H,22,23)(H,25,26);3-6,8-9,11H,7,10H2,1-2H3,(H,22,23)(H,25,26)
InChIKeyOCTYXLSLVXMSOO-UHFFFAOYSA-N
XLogP16.25
TPSA410.55 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001780.45
LogP ≤ 516.25
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze 2-chloro-5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-methylbenzoic acid) with MolForge

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Related Compounds

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1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid
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2-chloro-5-[2-(hydroxymethyl)-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)benzamide;5-[3-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(3-phenylimidazo[1,2-a]pyridin-8-yl)benzamide;N-(4-methylphenyl)-5-(2-methyl-3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
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CID 161126101

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-methylbenzoic acid)?
The IUPAC name of 2-chloro-5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-methylbenzoic acid) (CID 159956502) is 2-chloro-5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-methylbenzoic acid).
What is the SMILES notation for 2-chloro-5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-methylbenzoic acid)?
The canonical SMILES for 2-chloro-5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-methylbenzoic acid) is CN(C)CCc1nc(-c2cc(F)cc(C(=O)O)c2)c(-c2ccncc2)[nH]1.CN(C)CCc1nc(-c2ccc(Cl)c(C(=O)O)c2)c(-c2ccncc2)[nH]1.CN(C)CCc1nc(-c2ccc(F)c(C(=O)O)c2)c(-c2ccncc2)[nH]1.Cc1ccc(-c2nc(CCN(C)C)[nH]c2-c2ccncc2)cc1C(=O)O.Cc1ccc(-c2nc(CCN(C)C)[nH]c2-c2ccncc2)cc1C(=O)O.
What is the InChIKey of 2-chloro-5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-methylbenzoic acid)?
The InChIKey is OCTYXLSLVXMSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H22N4O2.C19H19ClN4O2.2C19H19FN4O2/c2*1-13-4-5-15(12-16(13)20(25)26)19-18(14-6-9-21-10-7-14)22-17(23-19)8-11-24(2)3;1-24(2)10-7-16-22-17(12-5-8-21-9-6-12)18(23-16)13-3-4-15(20)14(11-13)19(25)26;1-24(2)8-5-16-22-17(12-3-6-21-7-4-12)18(23-16)13-9-14(19(25)26)11-15(20)10-13;1-24(2)10-7-16-22-17(12-5-8-21-9-6-12)18(23-16)13-3-4-15(20)14(11-13)19(25)26/h2*4-7,9-10,12H,8,11H2,1-3H3,(H,22,23)(H,25,26);3-6,8-9,11H,7,10H2,1-2H3,(H,22,23)(H,25,26);3-4,6-7,9-11H,5,8H2,1-2H3,(H,22,23)(H,25,26);3-6,8-9,11H,7,10H2,1-2H3,(H,22,23)(H,25,26).
What are the key properties of 2-chloro-5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-methylbenzoic acid)?
2-chloro-5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-methylbenzoic acid) has a molecular weight of 1780.45 g/mol, XLogP of 16.25, 30 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid;bis(5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-methylbenzoic acid) is sourced from PubChem (CID 159956502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).