5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazole-4-carboxamide

C17H15ClN4O2 — CID 139268656

IUPAC5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazole-4-carboxamide
SMILESCOc1ccccc1-n1cnc(C(=O)Nc2ccc(Cl)cc2)c1N
InChIInChI=1S/C17H15ClN4O2/c1-24-14-5-3-2-4-13(14)22-10-20-15(16(22)19)17(23)21-12-8-6-11(18)7-9-12/h2-10H,19H2,1H3,(H,21,23)
InChIKeyQRHWRVOGYSGMTL-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.37
Rot. Bonds4

About 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazole-4-carboxamide

5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazole-4-carboxamide (PubChem CID 139268656) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazole-4-carboxamide
PubChem CID139268656
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazole-4-carboxamide
SMILESCOc1ccccc1-n1cnc(C(=O)Nc2ccc(Cl)cc2)c1N
InChIInChI=1S/C17H15ClN4O2/c1-24-14-5-3-2-4-13(14)22-10-20-15(16(22)19)17(23)21-12-8-6-11(18)7-9-12/h2-10H,19H2,1H3,(H,21,23)
InChIKeyQRHWRVOGYSGMTL-UHFFFAOYSA-N
XLogP3.37
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazole-4-carboxamide (CID 139268656) is 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazole-4-carboxamide is COc1ccccc1-n1cnc(C(=O)Nc2ccc(Cl)cc2)c1N.
What is the InChIKey of 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazole-4-carboxamide?
The InChIKey is QRHWRVOGYSGMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-24-14-5-3-2-4-13(14)22-10-20-15(16(22)19)17(23)21-12-8-6-11(18)7-9-12/h2-10H,19H2,1H3,(H,21,23).
What are the key properties of 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazole-4-carboxamide?
5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazole-4-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 139268656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).