1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde

C21H16N2O — CID 21107908

IUPAC1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde
SMILESCn1c(C=O)nc2c(-c3ccccc3)ccc(-c3ccccc3)c21
InChIInChI=1S/C21H16N2O/c1-23-19(14-24)22-20-17(15-8-4-2-5-9-15)12-13-18(21(20)23)16-10-6-3-7-11-16/h2-14H,1H3
InChIKeyUAZFDXSAXJCPON-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.72
Rot. Bonds3

About 1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde

1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde (PubChem CID 21107908) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde
PubChem CID21107908
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde
SMILESCn1c(C=O)nc2c(-c3ccccc3)ccc(-c3ccccc3)c21
InChIInChI=1S/C21H16N2O/c1-23-19(14-24)22-20-17(15-8-4-2-5-9-15)12-13-18(21(20)23)16-10-6-3-7-11-16/h2-14H,1H3
InChIKeyUAZFDXSAXJCPON-UHFFFAOYSA-N
XLogP4.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde?
The IUPAC name of 1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde (CID 21107908) is 1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde.
What is the SMILES notation for 1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde?
The canonical SMILES for 1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde is Cn1c(C=O)nc2c(-c3ccccc3)ccc(-c3ccccc3)c21.
What is the InChIKey of 1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde?
The InChIKey is UAZFDXSAXJCPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-23-19(14-24)22-20-17(15-8-4-2-5-9-15)12-13-18(21(20)23)16-10-6-3-7-11-16/h2-14H,1H3.
What are the key properties of 1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde?
1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde has a molecular weight of 312.37 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,7-diphenylbenzimidazole-2-carbaldehyde is sourced from PubChem (CID 21107908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).