N-(3-acetamidophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide

C12H14N4O2 — CID 540732

IUPACN-(3-acetamidophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2=NCCN2)c1
InChIInChI=1S/C12H14N4O2/c1-8(17)15-9-3-2-4-10(7-9)16-12(18)11-13-5-6-14-11/h2-4,7H,5-6H2,1H3,(H,13,14)(H,15,17)(H,16,18)
InChIKeyHYLPFABFKARQKT-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.59
Rot. Bonds3

About N-(3-acetamidophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide

N-(3-acetamidophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 540732) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID540732
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(3-acetamidophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2=NCCN2)c1
InChIInChI=1S/C12H14N4O2/c1-8(17)15-9-3-2-4-10(7-9)16-12(18)11-13-5-6-14-11/h2-4,7H,5-6H2,1H3,(H,13,14)(H,15,17)(H,16,18)
InChIKeyHYLPFABFKARQKT-UHFFFAOYSA-N
XLogP0.59
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91900795
N-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91901954
3-(1,4,5,6-tetrahydropyrimidine-2-carbonylamino)benzoic acid
CID 91902040
5-(4,5-dihydro-1H-imidazole-2-carbonylamino)-2-hydroxybenzoic acid
CID 91901926
N-(3,4-dimethylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide
CID 91902044
N-(2-hydroxyphenyl)-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91901916
3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82240480
N-naphthalen-2-yl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide
CID 91902357
1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 20563379
N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
CID 71854176
N-(3-acetamidophenyl)-2,6-dihydroxybenzamide
CID 103748896
N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47292628

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide (CID 540732) is N-(3-acetamidophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide is CC(=O)Nc1cccc(NC(=O)C2=NCCN2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is HYLPFABFKARQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(17)15-9-3-2-4-10(7-9)16-12(18)11-13-5-6-14-11/h2-4,7H,5-6H2,1H3,(H,13,14)(H,15,17)(H,16,18).
What are the key properties of N-(3-acetamidophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide?
N-(3-acetamidophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 540732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).