N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide

C11H10ClN3O — CID 79020132

IUPACN-(4-chloro-2-methylphenyl)imidazole-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)n1ccnc1
InChIInChI=1S/C11H10ClN3O/c1-8-6-9(12)2-3-10(8)14-11(16)15-5-4-13-7-15/h2-7H,1H3,(H,14,16)
InChIKeyYLSDHYMUZIXXOT-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.93
Rot. Bonds1

About N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide

N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide (PubChem CID 79020132) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)imidazole-1-carboxamide
PubChem CID79020132
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC NameN-(4-chloro-2-methylphenyl)imidazole-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)n1ccnc1
InChIInChI=1S/C11H10ClN3O/c1-8-6-9(12)2-3-10(8)14-11(16)15-5-4-13-7-15/h2-7H,1H3,(H,14,16)
InChIKeyYLSDHYMUZIXXOT-UHFFFAOYSA-N
XLogP2.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methoxyphenyl)imidazole-1-carboxamide
CID 3468883
N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide
CID 690741
N-(3,5-dichlorophenyl)imidazole-1-carboxamide
CID 81257838
N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide
CID 81257037
N-(4-chloro-2-methylphenyl)-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide
CID 24633242
N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 81257554
N-(2-bromo-3-chlorophenyl)imidazole-1-carboxamide
CID 103481644
N-(2-cyano-3-methylphenyl)imidazole-1-carboxamide
CID 107801614
N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257815
N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide
CID 81258005
N-(2,3-difluorophenyl)imidazole-1-carboxamide
CID 81269096
N-(3-acetylphenyl)imidazole-1-carboxamide
CID 81258078

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide (CID 79020132) is N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide is Cc1cc(Cl)ccc1NC(=O)n1ccnc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide?
The InChIKey is YLSDHYMUZIXXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-8-6-9(12)2-3-10(8)14-11(16)15-5-4-13-7-15/h2-7H,1H3,(H,14,16).
What are the key properties of N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide?
N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide has a molecular weight of 235.67 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide is sourced from PubChem (CID 79020132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).