3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-2-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-3-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-4-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-pyrrol-3-yl)ethanone

C123H104Cl7N19O11S — CID 162144844

IUPAC3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-2-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-3-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-4-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-pyrrol-3-yl)ethanone
SMILESCc1cccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)n1.Cc1nc(C)c(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)s1.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1cc[nH]c1.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1cccnc1.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1ccncc1.O=C(O)c1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cc1.O=C(O)c1cccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)c1
InChIInChI=1S/2C19H15ClN2O3.C18H16ClN3O.C17H16ClN3OS.2C17H14ClN3O.C16H14ClN3O/c20-16-6-1-3-13(7-16)10-22-11-17(21-12-22)9-18(23)14-4-2-5-15(8-14)19(24)25;20-16-3-1-2-13(8-16)10-22-11-17(21-12-22)9-18(23)14-4-6-15(7-5-14)19(24)25;1-13-4-2-7-17(21-13)18(23)9-16-11-22(12-20-16)10-14-5-3-6-15(19)8-14;1-11-17(23-12(2)20-11)16(22)7-15-9-21(10-19-15)8-13-4-3-5-14(18)6-13;18-15-5-1-3-13(7-15)10-21-11-16(20-12-21)8-17(22)14-4-2-6-19-9-14;18-15-3-1-2-13(8-15)10-21-11-16(20-12-21)9-17(22)14-4-6-19-7-5-14;17-14-3-1-2-12(6-14)9-20-10-15(19-11-20)7-16(21)13-4-5-18-8-13/h2*1-8,11-12H,9-10H2,(H,24,25);2-8,11-12H,9-10H2,1H3;3-6,9-10H,7-8H2,1-2H3;1-7,9,11-12H,8,10H2;1-8,11-12H,9-10H2;1-6,8,10-11,18H,7,9H2
InChIKeyZKKLRFRHINAYTI-UHFFFAOYSA-N
MW2304.54 g/mol
LogP25.36
Rot. Bonds37

About 3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-2-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-3-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-4-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-pyrrol-3-yl)ethanone

3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-2-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-3-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-4-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-pyrrol-3-yl)ethanone (PubChem CID 162144844) has the molecular formula C123H104Cl7N19O11S and a molecular weight of 2304.54 g/mol. Its IUPAC name is 3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-2-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-3-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-4-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-2-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-3-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-4-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-pyrrol-3-yl)ethanone
PubChem CID162144844
Molecular FormulaC123H104Cl7N19O11S
Molecular Weight2304.54 g/mol
Exact Mass2299.57
IUPAC Name3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-2-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-3-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-4-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-pyrrol-3-yl)ethanone
SMILESCc1cccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)n1.Cc1nc(C)c(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)s1.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1cc[nH]c1.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1cccnc1.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1ccncc1.O=C(O)c1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cc1.O=C(O)c1cccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)c1
InChIInChI=1S/2C19H15ClN2O3.C18H16ClN3O.C17H16ClN3OS.2C17H14ClN3O.C16H14ClN3O/c20-16-6-1-3-13(7-16)10-22-11-17(21-12-22)9-18(23)14-4-2-5-15(8-14)19(24)25;20-16-3-1-2-13(8-16)10-22-11-17(21-12-22)9-18(23)14-4-6-15(7-5-14)19(24)25;1-13-4-2-7-17(21-13)18(23)9-16-11-22(12-20-16)10-14-5-3-6-15(19)8-14;1-11-17(23-12(2)20-11)16(22)7-15-9-21(10-19-15)8-13-4-3-5-14(18)6-13;18-15-5-1-3-13(7-15)10-21-11-16(20-12-21)8-17(22)14-4-2-6-19-9-14;18-15-3-1-2-13(8-15)10-21-11-16(20-12-21)9-17(22)14-4-6-19-7-5-14;17-14-3-1-2-12(6-14)9-20-10-15(19-11-20)7-16(21)13-4-5-18-8-13/h2*1-8,11-12H,9-10H2,(H,24,25);2-8,11-12H,9-10H2,1H3;3-6,9-10H,7-8H2,1-2H3;1-7,9,11-12H,8,10H2;1-8,11-12H,9-10H2;1-6,8,10-11,18H,7,9H2
InChIKeyZKKLRFRHINAYTI-UHFFFAOYSA-N
XLogP25.36
TPSA386.18 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds37
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002304.54
LogP ≤ 525.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze 3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-2-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-3-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-4-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-pyrrol-3-yl)ethanone with MolForge

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Related Compounds

N-[4-[4-(2-chloro-5-ethylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[6-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]pyrimidin-4-yl]acetamide;1-[4-[4-(2,4-dichlorophenyl)-5-(4,5-dimethyl-1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]propan-2-one;N-[4-[5-(1H-imidazol-2-yl)-4-(3-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[5-(1H-imidazol-2-yl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;methyl 4-[5-(1H-imidazol-2-yl)-2-[2-(2-oxopropyl)-4-pyridinyl]-1,3-thiazol-4-yl]benzoate
CID 157230911
4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-5-(1-prop-2-enylimidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;1-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]pent-4-en-1-one;hydrochloride
CID 157435210

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-2-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-3-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-4-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-pyrrol-3-yl)ethanone?
The IUPAC name of 3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-2-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-3-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-4-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-pyrrol-3-yl)ethanone (CID 162144844) is 3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-2-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-3-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-4-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-2-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-3-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-4-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-2-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-3-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-4-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-pyrrol-3-yl)ethanone is Cc1cccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)n1.Cc1nc(C)c(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)s1.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1cc[nH]c1.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1cccnc1.O=C(Cc1cn(Cc2cccc(Cl)c2)cn1)c1ccncc1.O=C(O)c1ccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)cc1.O=C(O)c1cccc(C(=O)Cc2cn(Cc3cccc(Cl)c3)cn2)c1.
What is the InChIKey of 3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-2-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-3-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-4-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-pyrrol-3-yl)ethanone?
The InChIKey is ZKKLRFRHINAYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H15ClN2O3.C18H16ClN3O.C17H16ClN3OS.2C17H14ClN3O.C16H14ClN3O/c20-16-6-1-3-13(7-16)10-22-11-17(21-12-22)9-18(23)14-4-2-5-15(8-14)19(24)25;20-16-3-1-2-13(8-16)10-22-11-17(21-12-22)9-18(23)14-4-6-15(7-5-14)19(24)25;1-13-4-2-7-17(21-13)18(23)9-16-11-22(12-20-16)10-14-5-3-6-15(19)8-14;1-11-17(23-12(2)20-11)16(22)7-15-9-21(10-19-15)8-13-4-3-5-14(18)6-13;18-15-5-1-3-13(7-15)10-21-11-16(20-12-21)8-17(22)14-4-2-6-19-9-14;18-15-3-1-2-13(8-15)10-21-11-16(20-12-21)9-17(22)14-4-6-19-7-5-14;17-14-3-1-2-12(6-14)9-20-10-15(19-11-20)7-16(21)13-4-5-18-8-13/h2*1-8,11-12H,9-10H2,(H,24,25);2-8,11-12H,9-10H2,1H3;3-6,9-10H,7-8H2,1-2H3;1-7,9,11-12H,8,10H2;1-8,11-12H,9-10H2;1-6,8,10-11,18H,7,9H2.
What are the key properties of 3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-2-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-3-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-4-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-pyrrol-3-yl)ethanone?
3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-2-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-3-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-4-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-pyrrol-3-yl)ethanone has a molecular weight of 2304.54 g/mol, XLogP of 25.36, 37 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;4-[2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]acetyl]benzoic acid;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methyl-2-pyridinyl)ethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-3-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-pyridin-4-ylethanone;2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 162144844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).