N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide

C12H14N4O — CID 81257453

IUPACN-[4-(dimethylamino)phenyl]imidazole-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)n2ccnc2)cc1
InChIInChI=1S/C12H14N4O/c1-15(2)11-5-3-10(4-6-11)14-12(17)16-8-7-13-9-16/h3-9H,1-2H3,(H,14,17)
InChIKeyTXGWGYFVXFXUAN-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.03
Rot. Bonds2

About N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide

N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide (PubChem CID 81257453) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]imidazole-1-carboxamide
PubChem CID81257453
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-[4-(dimethylamino)phenyl]imidazole-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)n2ccnc2)cc1
InChIInChI=1S/C12H14N4O/c1-15(2)11-5-3-10(4-6-11)14-12(17)16-8-7-13-9-16/h3-9H,1-2H3,(H,14,17)
InChIKeyTXGWGYFVXFXUAN-UHFFFAOYSA-N
XLogP2.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-nitrophenyl)imidazole-1-carboxamide
CID 14907723
N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide
CID 690741
N-(3-acetylphenyl)imidazole-1-carboxamide
CID 81258078
N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide
CID 81270282
N-(3,5-dichlorophenyl)imidazole-1-carboxamide
CID 81257838
N-(5-methyl-3-pyridinyl)imidazole-1-carboxamide
CID 107586878
N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257815
N-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide
CID 81257020
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazole-1-carboxamide
CID 81257810
N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide
CID 81257589
ethyl (E)-3-[4-(imidazole-1-carbonylamino)phenyl]prop-2-enoate
CID 81252099
N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide
CID 81257160

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide (CID 81257453) is N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide is CN(C)c1ccc(NC(=O)n2ccnc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide?
The InChIKey is TXGWGYFVXFXUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-15(2)11-5-3-10(4-6-11)14-12(17)16-8-7-13-9-16/h3-9H,1-2H3,(H,14,17).
What are the key properties of N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide?
N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 81257453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).