5-[(4-chlorobenzoyl)amino]-3-(2-methylpropyl)-2-propylimidazole-4-carboxylic acid

C18H22ClN3O3 — CID 69293935

IUPAC5-[(4-chlorobenzoyl)amino]-3-(2-methylpropyl)-2-propylimidazole-4-carboxylic acid
SMILESCCCc1nc(NC(=O)c2ccc(Cl)cc2)c(C(=O)O)n1CC(C)C
InChIInChI=1S/C18H22ClN3O3/c1-4-5-14-20-16(15(18(24)25)22(14)10-11(2)3)21-17(23)12-6-8-13(19)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyGGGPBOATSZAHQS-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.10
Rot. Bonds7

About 5-[(4-chlorobenzoyl)amino]-3-(2-methylpropyl)-2-propylimidazole-4-carboxylic acid

5-[(4-chlorobenzoyl)amino]-3-(2-methylpropyl)-2-propylimidazole-4-carboxylic acid (PubChem CID 69293935) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 5-[(4-chlorobenzoyl)amino]-3-(2-methylpropyl)-2-propylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-chlorobenzoyl)amino]-3-(2-methylpropyl)-2-propylimidazole-4-carboxylic acid
PubChem CID69293935
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name5-[(4-chlorobenzoyl)amino]-3-(2-methylpropyl)-2-propylimidazole-4-carboxylic acid
SMILESCCCc1nc(NC(=O)c2ccc(Cl)cc2)c(C(=O)O)n1CC(C)C
InChIInChI=1S/C18H22ClN3O3/c1-4-5-14-20-16(15(18(24)25)22(14)10-11(2)3)21-17(23)12-6-8-13(19)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyGGGPBOATSZAHQS-UHFFFAOYSA-N
XLogP4.10
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorobenzoyl)amino]pyrazine-2-carboxylic Acid
CID 677030
2-[Butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 57465094
2-(5-Chloro-2-fluorophenyl)-1-(2-cyclopropylethyl)-5-methylimidazole-4-carboxylic acid
CID 68839566
5-[(2,4-Dichlorobenzoyl)amino]-2-ethyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid
CID 69190047
5-[(2,4-Dichlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid
CID 69190913
5-[(4-Chlorobenzoyl)amino]-3-(4-fluorophenyl)-2-methoxyimidazole-4-carboxylic acid
CID 69190952
3-[(4-chlorophenyl)methyl]-2-[(6-fluoro-3-oxocyclohexen-1-yl)methyl]-N-(3-hydroxypropyl)-5-(methylamino)imidazole-4-carboxamide
CID 123655813
5-[(2-Chloro-4-fluorobenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylic acid
CID 154323378
6-(4-chloro-3-fluorophenyl)-8-oxo-7H-imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 156383179
2-[(6R)-7-[4-chloro-3-(trifluoromethyl)benzoyl]-6-methyl-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-3-methylimidazole-4-carboxylic acid
CID 166985822
N-[1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]benzamide
CID 44211467
1-(4-Chlorobenzyl)-5-methylimidazole-4-carboxylic acid
CID 2820820

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorobenzoyl)amino]-3-(2-methylpropyl)-2-propylimidazole-4-carboxylic acid?
The IUPAC name of 5-[(4-chlorobenzoyl)amino]-3-(2-methylpropyl)-2-propylimidazole-4-carboxylic acid (CID 69293935) is 5-[(4-chlorobenzoyl)amino]-3-(2-methylpropyl)-2-propylimidazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-chlorobenzoyl)amino]-3-(2-methylpropyl)-2-propylimidazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-chlorobenzoyl)amino]-3-(2-methylpropyl)-2-propylimidazole-4-carboxylic acid is CCCc1nc(NC(=O)c2ccc(Cl)cc2)c(C(=O)O)n1CC(C)C.
What is the InChIKey of 5-[(4-chlorobenzoyl)amino]-3-(2-methylpropyl)-2-propylimidazole-4-carboxylic acid?
The InChIKey is GGGPBOATSZAHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-4-5-14-20-16(15(18(24)25)22(14)10-11(2)3)21-17(23)12-6-8-13(19)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,21,23)(H,24,25).
What are the key properties of 5-[(4-chlorobenzoyl)amino]-3-(2-methylpropyl)-2-propylimidazole-4-carboxylic acid?
5-[(4-chlorobenzoyl)amino]-3-(2-methylpropyl)-2-propylimidazole-4-carboxylic acid has a molecular weight of 363.85 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorobenzoyl)amino]-3-(2-methylpropyl)-2-propylimidazole-4-carboxylic acid is sourced from PubChem (CID 69293935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).