N-(benzylideneamino)-1H-imidazole-5-carboxamide

C11H10N4O — CID 1497211

IUPACN-(benzylideneamino)-1H-imidazole-5-carboxamide
SMILESO=C(NN=Cc1ccccc1)c1cnc[nH]1
InChIInChI=1S/C11H10N4O/c16-11(10-7-12-8-13-10)15-14-6-9-4-2-1-3-5-9/h1-8H,(H,12,13)(H,15,16)
InChIKeyDSWHWLHNHWBPJZ-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.17
Rot. Bonds3

About N-(benzylideneamino)-1H-imidazole-5-carboxamide

N-(benzylideneamino)-1H-imidazole-5-carboxamide (PubChem CID 1497211) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is N-(benzylideneamino)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(benzylideneamino)-1H-imidazole-5-carboxamide
PubChem CID1497211
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC NameN-(benzylideneamino)-1H-imidazole-5-carboxamide
SMILESO=C(NN=Cc1ccccc1)c1cnc[nH]1
InChIInChI=1S/C11H10N4O/c16-11(10-7-12-8-13-10)15-14-6-9-4-2-1-3-5-9/h1-8H,(H,12,13)(H,15,16)
InChIKeyDSWHWLHNHWBPJZ-UHFFFAOYSA-N
XLogP1.17
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide
CID 137219107
3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 1128550
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6867328
[(E)-benzylideneamino]urea
CID 6861419
N-[(Z)-benzylideneamino]-6-methylpyridine-3-carboxamide
CID 5370943
N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 760975
N-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide
CID 3641500
N-[(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 760671
N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide
CID 170181665
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
N-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124436

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(benzylideneamino)-1H-imidazole-5-carboxamide (CID 1497211) is N-(benzylideneamino)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(benzylideneamino)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(benzylideneamino)-1H-imidazole-5-carboxamide is O=C(NN=Cc1ccccc1)c1cnc[nH]1.
What is the InChIKey of N-(benzylideneamino)-1H-imidazole-5-carboxamide?
The InChIKey is DSWHWLHNHWBPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c16-11(10-7-12-8-13-10)15-14-6-9-4-2-1-3-5-9/h1-8H,(H,12,13)(H,15,16).
What are the key properties of N-(benzylideneamino)-1H-imidazole-5-carboxamide?
N-(benzylideneamino)-1H-imidazole-5-carboxamide has a molecular weight of 214.23 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 1497211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).