2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid

C19H16ClN3O3 — CID 169411976

IUPAC2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid
SMILESCn1c(C(=O)O)cnc1-c1cccc(C(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H16ClN3O3/c1-23-16(19(25)26)11-21-17(23)13-5-3-6-14(9-13)18(24)22-10-12-4-2-7-15(20)8-12/h2-9,11H,10H2,1H3,(H,22,24)(H,25,26)
InChIKeyCGUXMNGYWJBOGA-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.37
Rot. Bonds5

About 2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid

2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid (PubChem CID 169411976) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid
PubChem CID169411976
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid
SMILESCn1c(C(=O)O)cnc1-c1cccc(C(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H16ClN3O3/c1-23-16(19(25)26)11-21-17(23)13-5-3-6-14(9-13)18(24)22-10-12-4-2-7-15(20)8-12/h2-9,11H,10H2,1H3,(H,22,24)(H,25,26)
InChIKeyCGUXMNGYWJBOGA-UHFFFAOYSA-N
XLogP3.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2548252
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CID 51158730
N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide
CID 1246739
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60699247
N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
CID 7922599
3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methylphenyl)methyl]benzamide
CID 53148817
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 50846337
3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294554
N-[(3-chlorophenyl)methyl]-2-(6-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide
CID 164874975
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 149227651

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid?
The IUPAC name of 2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid (CID 169411976) is 2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid?
The canonical SMILES for 2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid is Cn1c(C(=O)O)cnc1-c1cccc(C(=O)NCc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid?
The InChIKey is CGUXMNGYWJBOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-23-16(19(25)26)11-21-17(23)13-5-3-6-14(9-13)18(24)22-10-12-4-2-7-15(20)8-12/h2-9,11H,10H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid?
2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid has a molecular weight of 369.81 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 169411976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).