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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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).