2-phenyl-3H-benzimidazole-5-carbohydrazide

C14H12N4O — CID 17010632

IUPAC2-phenyl-3H-benzimidazole-5-carbohydrazide
SMILESNNC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C14H12N4O/c15-18-14(19)10-6-7-11-12(8-10)17-13(16-11)9-4-2-1-3-5-9/h1-8H,15H2,(H,16,17)(H,18,19)
InChIKeyXEEIQNAEBJOCFB-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.83
Rot. Bonds2

About 2-phenyl-3H-benzimidazole-5-carbohydrazide

2-phenyl-3H-benzimidazole-5-carbohydrazide (PubChem CID 17010632) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-phenyl-3H-benzimidazole-5-carbohydrazide.

Molecular Properties

Compound Name2-phenyl-3H-benzimidazole-5-carbohydrazide
PubChem CID17010632
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-phenyl-3H-benzimidazole-5-carbohydrazide
SMILESNNC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C14H12N4O/c15-18-14(19)10-6-7-11-12(8-10)17-13(16-11)9-4-2-1-3-5-9/h1-8H,15H2,(H,16,17)(H,18,19)
InChIKeyXEEIQNAEBJOCFB-UHFFFAOYSA-N
XLogP1.83
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-3H-benzimidazole-5-carbohydrazide
CID 91673674
2-(4-nitrophenyl)-3H-benzimidazole-5-carbohydrazide
CID 91902909
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110766096
2-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-carbohydrazide
CID 91902915
N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127
2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110766091
N-hydroxy-2-(2-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690172
N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide
CID 14903288
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
N-[(2S)-1-amino-1-oxo-4-phenylbutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 59879984
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3H-benzimidazole-5-carbohydrazide?
The IUPAC name of 2-phenyl-3H-benzimidazole-5-carbohydrazide (CID 17010632) is 2-phenyl-3H-benzimidazole-5-carbohydrazide.
What is the SMILES notation for 2-phenyl-3H-benzimidazole-5-carbohydrazide?
The canonical SMILES for 2-phenyl-3H-benzimidazole-5-carbohydrazide is NNC(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-phenyl-3H-benzimidazole-5-carbohydrazide?
The InChIKey is XEEIQNAEBJOCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-18-14(19)10-6-7-11-12(8-10)17-13(16-11)9-4-2-1-3-5-9/h1-8H,15H2,(H,16,17)(H,18,19).
What are the key properties of 2-phenyl-3H-benzimidazole-5-carbohydrazide?
2-phenyl-3H-benzimidazole-5-carbohydrazide has a molecular weight of 252.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3H-benzimidazole-5-carbohydrazide is sourced from PubChem (CID 17010632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).