N-(7-phenyl-3H-benzimidazol-5-yl)formamide

C14H11N3O — CID 58748890

IUPACN-(7-phenyl-3H-benzimidazol-5-yl)formamide
SMILESO=CNc1cc(-c2ccccc2)c2nc[nH]c2c1
InChIInChI=1S/C14H11N3O/c18-9-17-11-6-12(10-4-2-1-3-5-10)14-13(7-11)15-8-16-14/h1-9H,(H,15,16)(H,17,18)
InChIKeyFRBARYQBQAFQNM-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.80
Rot. Bonds3

About N-(7-phenyl-3H-benzimidazol-5-yl)formamide

N-(7-phenyl-3H-benzimidazol-5-yl)formamide (PubChem CID 58748890) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(7-phenyl-3H-benzimidazol-5-yl)formamide.

Molecular Properties

Compound NameN-(7-phenyl-3H-benzimidazol-5-yl)formamide
PubChem CID58748890
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC NameN-(7-phenyl-3H-benzimidazol-5-yl)formamide
SMILESO=CNc1cc(-c2ccccc2)c2nc[nH]c2c1
InChIInChI=1S/C14H11N3O/c18-9-17-11-6-12(10-4-2-1-3-5-10)14-13(7-11)15-8-16-14/h1-9H,(H,15,16)(H,17,18)
InChIKeyFRBARYQBQAFQNM-UHFFFAOYSA-N
XLogP2.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-phenyl-3H-benzimidazol-5-yl)formamide?
The IUPAC name of N-(7-phenyl-3H-benzimidazol-5-yl)formamide (CID 58748890) is N-(7-phenyl-3H-benzimidazol-5-yl)formamide.
What is the SMILES notation for N-(7-phenyl-3H-benzimidazol-5-yl)formamide?
The canonical SMILES for N-(7-phenyl-3H-benzimidazol-5-yl)formamide is O=CNc1cc(-c2ccccc2)c2nc[nH]c2c1.
What is the InChIKey of N-(7-phenyl-3H-benzimidazol-5-yl)formamide?
The InChIKey is FRBARYQBQAFQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-9-17-11-6-12(10-4-2-1-3-5-10)14-13(7-11)15-8-16-14/h1-9H,(H,15,16)(H,17,18).
What are the key properties of N-(7-phenyl-3H-benzimidazol-5-yl)formamide?
N-(7-phenyl-3H-benzimidazol-5-yl)formamide has a molecular weight of 237.26 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-phenyl-3H-benzimidazol-5-yl)formamide is sourced from PubChem (CID 58748890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).