N-(3-chlorophenyl)-1H-imidazole-5-carboxamide

C10H8ClN3O — CID 5299205

IUPACN-(3-chlorophenyl)-1H-imidazole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnc[nH]1
InChIInChI=1S/C10H8ClN3O/c11-7-2-1-3-8(4-7)14-10(15)9-5-12-6-13-9/h1-6H,(H,12,13)(H,14,15)
InChIKeySLGHCWAHCAQQCA-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.32
Rot. Bonds2

About N-(3-chlorophenyl)-1H-imidazole-5-carboxamide

N-(3-chlorophenyl)-1H-imidazole-5-carboxamide (PubChem CID 5299205) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1H-imidazole-5-carboxamide
PubChem CID5299205
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC NameN-(3-chlorophenyl)-1H-imidazole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnc[nH]1
InChIInChI=1S/C10H8ClN3O/c11-7-2-1-3-8(4-7)14-10(15)9-5-12-6-13-9/h1-6H,(H,12,13)(H,14,15)
InChIKeySLGHCWAHCAQQCA-UHFFFAOYSA-N
XLogP2.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1H-imidazole-5-carboxamide (CID 5299205) is N-(3-chlorophenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1H-imidazole-5-carboxamide is O=C(Nc1cccc(Cl)c1)c1cnc[nH]1.
What is the InChIKey of N-(3-chlorophenyl)-1H-imidazole-5-carboxamide?
The InChIKey is SLGHCWAHCAQQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-7-2-1-3-8(4-7)14-10(15)9-5-12-6-13-9/h1-6H,(H,12,13)(H,14,15).
What are the key properties of N-(3-chlorophenyl)-1H-imidazole-5-carboxamide?
N-(3-chlorophenyl)-1H-imidazole-5-carboxamide has a molecular weight of 221.65 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 5299205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).