N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide

C12H13ClN4O — CID 81257815

IUPACN-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)n1ccnc1
InChIInChI=1S/C12H13ClN4O/c1-16(2)11-9(13)4-3-5-10(11)15-12(18)17-7-6-14-8-17/h3-8H,1-2H3,(H,15,18)
InChIKeyCKVRUSGZOFPCRG-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.68
Rot. Bonds2

About N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide

N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide (PubChem CID 81257815) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide
PubChem CID81257815
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)n1ccnc1
InChIInChI=1S/C12H13ClN4O/c1-16(2)11-9(13)4-3-5-10(11)15-12(18)17-7-6-14-8-17/h3-8H,1-2H3,(H,15,18)
InChIKeyCKVRUSGZOFPCRG-UHFFFAOYSA-N
XLogP2.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-3-chlorophenyl)imidazole-1-carboxamide
CID 103481644
N-(2,3-difluorophenyl)imidazole-1-carboxamide
CID 81269096
N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257453
N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide
CID 79020132
N-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide
CID 81257028
N-(2-cyano-3-methylphenyl)imidazole-1-carboxamide
CID 107801614
N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 81257554
N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide
CID 81257477
N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide
CID 81257478
N-isoquinolin-5-ylimidazole-1-carboxamide
CID 81257687
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 114327743
(3-chloro-2-methylphenyl)-imidazol-1-ylmethanone
CID 110463733

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide (CID 81257815) is N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide is CN(C)c1c(Cl)cccc1NC(=O)n1ccnc1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide?
The InChIKey is CKVRUSGZOFPCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-16(2)11-9(13)4-3-5-10(11)15-12(18)17-7-6-14-8-17/h3-8H,1-2H3,(H,15,18).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide?
N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 81257815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).