N-[4-chloro-3-(dimethylcarbamoyl)phenyl]imidazole-1-carboxamide

C13H13ClN4O2 — CID 81257796

IUPACN-[4-chloro-3-(dimethylcarbamoyl)phenyl]imidazole-1-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)n2ccnc2)ccc1Cl
InChIInChI=1S/C13H13ClN4O2/c1-17(2)12(19)10-7-9(3-4-11(10)14)16-13(20)18-6-5-15-8-18/h3-8H,1-2H3,(H,16,20)
InChIKeyOOKILIJAJQOVOU-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.32
Rot. Bonds2

About N-[4-chloro-3-(dimethylcarbamoyl)phenyl]imidazole-1-carboxamide

N-[4-chloro-3-(dimethylcarbamoyl)phenyl]imidazole-1-carboxamide (PubChem CID 81257796) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylcarbamoyl)phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylcarbamoyl)phenyl]imidazole-1-carboxamide
PubChem CID81257796
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC NameN-[4-chloro-3-(dimethylcarbamoyl)phenyl]imidazole-1-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)n2ccnc2)ccc1Cl
InChIInChI=1S/C13H13ClN4O2/c1-17(2)12(19)10-7-9(3-4-11(10)14)16-13(20)18-6-5-15-8-18/h3-8H,1-2H3,(H,16,20)
InChIKeyOOKILIJAJQOVOU-UHFFFAOYSA-N
XLogP2.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257453
N-(3,5-dichlorophenyl)imidazole-1-carboxamide
CID 81257838
N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide
CID 81257482
N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide
CID 690741
N-(3-carbamoyl-4-fluorophenyl)imidazole-1-carboxamide
CID 81257159
N-(3-acetylphenyl)imidazole-1-carboxamide
CID 81258078
N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide
CID 81270282
N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257815
N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide
CID 81257477
2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119718973
N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide
CID 81257589
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazole-1-carboxamide
CID 81257810

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]imidazole-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]imidazole-1-carboxamide (CID 81257796) is N-[4-chloro-3-(dimethylcarbamoyl)phenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylcarbamoyl)phenyl]imidazole-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(dimethylcarbamoyl)phenyl]imidazole-1-carboxamide is CN(C)C(=O)c1cc(NC(=O)n2ccnc2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]imidazole-1-carboxamide?
The InChIKey is OOKILIJAJQOVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-17(2)12(19)10-7-9(3-4-11(10)14)16-13(20)18-6-5-15-8-18/h3-8H,1-2H3,(H,16,20).
What are the key properties of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]imidazole-1-carboxamide?
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]imidazole-1-carboxamide has a molecular weight of 292.73 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylcarbamoyl)phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 81257796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).