2-benzhydryl-1-hexadecylbenzimidazole

C36H48N2 — CID 16987201

IUPAC2-benzhydryl-1-hexadecylbenzimidazole
SMILESCCCCCCCCCCCCCCCCn1c(C(c2ccccc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C36H48N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-30-38-34-29-22-21-28-33(34)37-36(38)35(31-24-17-15-18-25-31)32-26-19-16-20-27-32/h15-22,24-29,35H,2-14,23,30H2,1H3
InChIKeyQFWDIIXCMYNXFT-UHFFFAOYSA-N
MW508.79 g/mol
LogP10.70
Rot. Bonds18

About 2-benzhydryl-1-hexadecylbenzimidazole

2-benzhydryl-1-hexadecylbenzimidazole (PubChem CID 16987201) has the molecular formula C36H48N2 and a molecular weight of 508.79 g/mol. Its IUPAC name is 2-benzhydryl-1-hexadecylbenzimidazole.

Molecular Properties

Compound Name2-benzhydryl-1-hexadecylbenzimidazole
PubChem CID16987201
Molecular FormulaC36H48N2
Molecular Weight508.79 g/mol
Exact Mass508.38
IUPAC Name2-benzhydryl-1-hexadecylbenzimidazole
SMILESCCCCCCCCCCCCCCCCn1c(C(c2ccccc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C36H48N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-30-38-34-29-22-21-28-33(34)37-36(38)35(31-24-17-15-18-25-31)32-26-19-16-20-27-32/h15-22,24-29,35H,2-14,23,30H2,1H3
InChIKeyQFWDIIXCMYNXFT-UHFFFAOYSA-N
XLogP10.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.79
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-benzhydryl-1-hexadecylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716
1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole
CID 101260842
2-(1-phenoxypropyl)-1-undecylbenzimidazole
CID 18877986
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole
CID 18878314
1-hexyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 3851676
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole
CID 94366022
1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7005495
1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 94366017
2-benzhydryl-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 16987294
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16987277

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-1-hexadecylbenzimidazole?
The IUPAC name of 2-benzhydryl-1-hexadecylbenzimidazole (CID 16987201) is 2-benzhydryl-1-hexadecylbenzimidazole.
What is the SMILES notation for 2-benzhydryl-1-hexadecylbenzimidazole?
The canonical SMILES for 2-benzhydryl-1-hexadecylbenzimidazole is CCCCCCCCCCCCCCCCn1c(C(c2ccccc2)c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-benzhydryl-1-hexadecylbenzimidazole?
The InChIKey is QFWDIIXCMYNXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-30-38-34-29-22-21-28-33(34)37-36(38)35(31-24-17-15-18-25-31)32-26-19-16-20-27-32/h15-22,24-29,35H,2-14,23,30H2,1H3.
What are the key properties of 2-benzhydryl-1-hexadecylbenzimidazole?
2-benzhydryl-1-hexadecylbenzimidazole has a molecular weight of 508.79 g/mol, XLogP of 10.70, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-1-hexadecylbenzimidazole is sourced from PubChem (CID 16987201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).