1-[(4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carbaldehyde

C24H22N2O — CID 140992531

IUPAC1-[(4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carbaldehyde
SMILESCCCc1nc2c(C=O)cccc2n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O/c1-2-7-23-25-24-21(17-27)10-6-11-22(24)26(23)16-18-12-14-20(15-13-18)19-8-4-3-5-9-19/h3-6,8-15,17H,2,7,16H2,1H3
InChIKeyLYSFXUZQCSCNIC-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.52
Rot. Bonds6

About 1-[(4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carbaldehyde

1-[(4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carbaldehyde (PubChem CID 140992531) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[(4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carbaldehyde
PubChem CID140992531
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name1-[(4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carbaldehyde
SMILESCCCc1nc2c(C=O)cccc2n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O/c1-2-7-23-25-24-21(17-27)10-6-11-22(24)26(23)16-18-12-14-20(15-13-18)19-8-4-3-5-9-19/h3-6,8-15,17H,2,7,16H2,1H3
InChIKeyLYSFXUZQCSCNIC-UHFFFAOYSA-N
XLogP5.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.52
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-2-propylbenzimidazol-4-amine
CID 82067310
2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzaldehyde
CID 15295804
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
1-benzyl-2-propylbenzimidazole
CID 764560
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
CID 115970804
2-[[5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]-2-phenylphenyl]methyl]propanedioic acid
CID 67878319
4-methyl-2-propyl-1-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
CID 67921412
N-[diethoxyphosphoryl(phenyl)methyl]-N-methyl-4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]aniline
CID 22407333
4-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]pyridine-3-carbonitrile
CID 19889372
1-[2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]piperidin-2-one
CID 139691089
4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]methyl]benzimidazole
CID 45488125
methyl 2-butyl-3-[[4-(2-formylphenyl)phenyl]methyl]benzimidazole-4-carboxylate
CID 54450185

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carbaldehyde?
The IUPAC name of 1-[(4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carbaldehyde (CID 140992531) is 1-[(4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carbaldehyde.
What is the SMILES notation for 1-[(4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carbaldehyde?
The canonical SMILES for 1-[(4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carbaldehyde is CCCc1nc2c(C=O)cccc2n1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carbaldehyde?
The InChIKey is LYSFXUZQCSCNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-2-7-23-25-24-21(17-27)10-6-11-22(24)26(23)16-18-12-14-20(15-13-18)19-8-4-3-5-9-19/h3-6,8-15,17H,2,7,16H2,1H3.
What are the key properties of 1-[(4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carbaldehyde?
1-[(4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carbaldehyde has a molecular weight of 354.45 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)methyl]-2-propylbenzimidazole-4-carbaldehyde is sourced from PubChem (CID 140992531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).