3-benzylbenzimidazole-5-carbaldehyde

C15H12N2O — CID 143880191

IUPAC3-benzylbenzimidazole-5-carbaldehyde
SMILESO=Cc1ccc2ncn(Cc3ccccc3)c2c1
InChIInChI=1S/C15H12N2O/c18-10-13-6-7-14-15(8-13)17(11-16-14)9-12-4-2-1-3-5-12/h1-8,10-11H,9H2
InChIKeyLWOLPHLNCLJQDZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.90
Rot. Bonds3

About 3-benzylbenzimidazole-5-carbaldehyde

3-benzylbenzimidazole-5-carbaldehyde (PubChem CID 143880191) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-benzylbenzimidazole-5-carbaldehyde.

Molecular Properties

Compound Name3-benzylbenzimidazole-5-carbaldehyde
PubChem CID143880191
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-benzylbenzimidazole-5-carbaldehyde
SMILESO=Cc1ccc2ncn(Cc3ccccc3)c2c1
InChIInChI=1S/C15H12N2O/c18-10-13-6-7-14-15(8-13)17(11-16-14)9-12-4-2-1-3-5-12/h1-8,10-11H,9H2
InChIKeyLWOLPHLNCLJQDZ-UHFFFAOYSA-N
XLogP2.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-iodoindole-6-carbaldehyde
CID 124908072
3-(2-methoxyethyl)benzimidazole-5-carbaldehyde
CID 58748120
1-benzyl-5-methylbenzimidazole
CID 12620837
3-[3-(benzimidazol-1-ylmethyl)phenyl]prop-2-enoic acid
CID 76908174
1-benzyl-6-(3,5-dimethyltriazol-4-yl)benzimidazole
CID 135227903
1-benzylbenzimidazol-5-amine;trihydrochloride
CID 53422372
1-[(3-phenylphenyl)methyl]benzimidazole
CID 53320325
1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532
3-[(4-chlorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 59172196
1-benzyl-5-isocyanobenzimidazole
CID 140845939
3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzimidazole-5-carbaldehyde
CID 89494067
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815

Frequently Asked Questions

What is the IUPAC name of 3-benzylbenzimidazole-5-carbaldehyde?
The IUPAC name of 3-benzylbenzimidazole-5-carbaldehyde (CID 143880191) is 3-benzylbenzimidazole-5-carbaldehyde.
What is the SMILES notation for 3-benzylbenzimidazole-5-carbaldehyde?
The canonical SMILES for 3-benzylbenzimidazole-5-carbaldehyde is O=Cc1ccc2ncn(Cc3ccccc3)c2c1.
What is the InChIKey of 3-benzylbenzimidazole-5-carbaldehyde?
The InChIKey is LWOLPHLNCLJQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c18-10-13-6-7-14-15(8-13)17(11-16-14)9-12-4-2-1-3-5-12/h1-8,10-11H,9H2.
What are the key properties of 3-benzylbenzimidazole-5-carbaldehyde?
3-benzylbenzimidazole-5-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylbenzimidazole-5-carbaldehyde is sourced from PubChem (CID 143880191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).