5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide

C11H11ClN4O — CID 59141435

IUPAC5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2ccc(Cl)cc2)c1N
InChIInChI=1S/C11H11ClN4O/c1-16-6-14-9(10(16)13)11(17)15-8-4-2-7(12)3-5-8/h2-6H,13H2,1H3,(H,15,17)
InChIKeyRUSGOYHANAWMHG-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.91
Rot. Bonds2

About 5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide

5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide (PubChem CID 59141435) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide
PubChem CID59141435
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2ccc(Cl)cc2)c1N
InChIInChI=1S/C11H11ClN4O/c1-16-6-14-9(10(16)13)11(17)15-8-4-2-7(12)3-5-8/h2-6H,13H2,1H3,(H,15,17)
InChIKeyRUSGOYHANAWMHG-UHFFFAOYSA-N
XLogP1.91
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide (CID 59141435) is 5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)Nc2ccc(Cl)cc2)c1N.
What is the InChIKey of 5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is RUSGOYHANAWMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-16-6-14-9(10(16)13)11(17)15-8-4-2-7(12)3-5-8/h2-6H,13H2,1H3,(H,15,17).
What are the key properties of 5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide?
5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 59141435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).