5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid

C18H17ClN4O3 — CID 141243748

IUPAC5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCCc1[nH]c(C(=O)Nc2ccc(-c3cc(C(=O)O)c(C)[nH]3)cc2)nc1Cl
InChIInChI=1S/C18H17ClN4O3/c1-3-13-15(19)23-16(22-13)17(24)21-11-6-4-10(5-7-11)14-8-12(18(25)26)9(2)20-14/h4-8,20H,3H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyHRUZHDWEIFDYDA-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.88
Rot. Bonds5

About 5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid

5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 141243748) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID141243748
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCCc1[nH]c(C(=O)Nc2ccc(-c3cc(C(=O)O)c(C)[nH]3)cc2)nc1Cl
InChIInChI=1S/C18H17ClN4O3/c1-3-13-15(19)23-16(22-13)17(24)21-11-6-4-10(5-7-11)14-8-12(18(25)26)9(2)20-14/h4-8,20H,3H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyHRUZHDWEIFDYDA-UHFFFAOYSA-N
XLogP3.88
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid with MolForge

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Related Compounds

5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82082007
5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 4715364
2-chloro-5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]pyridine-3-carboxylic acid
CID 11846213
2-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-4-(dipropylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 59615448
5-[(3R,4S)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-methoxypiperidin-1-yl]-2-methoxybenzoic acid
CID 86762082
4,5-dichloro-N-(6-chloro-3-pyridinyl)-1H-imidazole-2-carboxamide
CID 23592282
6-[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 20551280
5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-(2-methoxyethylamino)pyridine-3-carboxylic acid
CID 11846380
4,5-bis(4-chlorophenyl)-N-(4-fluorophenyl)-1H-imidazole-2-carboxamide
CID 14100150
5-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82087076
2-chloro-5-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]benzoic acid
CID 136958542
ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 46320509

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 141243748) is 5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid is CCc1[nH]c(C(=O)Nc2ccc(-c3cc(C(=O)O)c(C)[nH]3)cc2)nc1Cl.
What is the InChIKey of 5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is HRUZHDWEIFDYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-3-13-15(19)23-16(22-13)17(24)21-11-6-4-10(5-7-11)14-8-12(18(25)26)9(2)20-14/h4-8,20H,3H2,1-2H3,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid?
5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 372.81 g/mol, XLogP of 3.88, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 141243748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).