6-methoxy-3-phenylbenzimidazole-5-carbaldehyde

C15H12N2O2 — CID 5328534

IUPAC6-methoxy-3-phenylbenzimidazole-5-carbaldehyde
SMILESCOc1cc2ncn(-c3ccccc3)c2cc1C=O
InChIInChI=1S/C15H12N2O2/c1-19-15-8-13-14(7-11(15)9-18)17(10-16-13)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyRIWYYSANHUHQRG-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.85
Rot. Bonds3

About 6-methoxy-3-phenylbenzimidazole-5-carbaldehyde

6-methoxy-3-phenylbenzimidazole-5-carbaldehyde (PubChem CID 5328534) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-methoxy-3-phenylbenzimidazole-5-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-3-phenylbenzimidazole-5-carbaldehyde
PubChem CID5328534
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name6-methoxy-3-phenylbenzimidazole-5-carbaldehyde
SMILESCOc1cc2ncn(-c3ccccc3)c2cc1C=O
InChIInChI=1S/C15H12N2O2/c1-19-15-8-13-14(7-11(15)9-18)17(10-16-13)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyRIWYYSANHUHQRG-UHFFFAOYSA-N
XLogP2.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-phenylbenzimidazole-5-carbaldehyde?
The IUPAC name of 6-methoxy-3-phenylbenzimidazole-5-carbaldehyde (CID 5328534) is 6-methoxy-3-phenylbenzimidazole-5-carbaldehyde.
What is the SMILES notation for 6-methoxy-3-phenylbenzimidazole-5-carbaldehyde?
The canonical SMILES for 6-methoxy-3-phenylbenzimidazole-5-carbaldehyde is COc1cc2ncn(-c3ccccc3)c2cc1C=O.
What is the InChIKey of 6-methoxy-3-phenylbenzimidazole-5-carbaldehyde?
The InChIKey is RIWYYSANHUHQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-15-8-13-14(7-11(15)9-18)17(10-16-13)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 6-methoxy-3-phenylbenzimidazole-5-carbaldehyde?
6-methoxy-3-phenylbenzimidazole-5-carbaldehyde has a molecular weight of 252.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-phenylbenzimidazole-5-carbaldehyde is sourced from PubChem (CID 5328534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).