1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole

C26H28N2O — CID 134083855

IUPAC1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
SMILESCCCCCCn1c(-c2ccc(-c3ccccc3)cc2)nc2cc(OC)ccc21
InChIInChI=1S/C26H28N2O/c1-3-4-5-9-18-28-25-17-16-23(29-2)19-24(25)27-26(28)22-14-12-21(13-15-22)20-10-7-6-8-11-20/h6-8,10-17,19H,3-5,9,18H2,1-2H3
InChIKeyDPSATKAEZSZDIW-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.96
Rot. Bonds8

About 1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole

1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole (PubChem CID 134083855) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole.

Molecular Properties

Compound Name1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
PubChem CID134083855
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
SMILESCCCCCCn1c(-c2ccc(-c3ccccc3)cc2)nc2cc(OC)ccc21
InChIInChI=1S/C26H28N2O/c1-3-4-5-9-18-28-25-17-16-23(29-2)19-24(25)27-26(28)22-14-12-21(13-15-22)20-10-7-6-8-11-20/h6-8,10-17,19H,3-5,9,18H2,1-2H3
InChIKeyDPSATKAEZSZDIW-UHFFFAOYSA-N
XLogP6.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline
CID 82334366
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
CID 134083884
1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole
CID 134083798
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole
CID 134083950
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
2-cyclopropyl-1-hexyl-5-methoxybenzimidazole
CID 134083858
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903
1-butyl-5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953743
2-(3-methylphenyl)-1-octadecylbenzimidazole
CID 17000753
2-(4-bromophenyl)-1-decylbenzimidazole
CID 17001133

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole?
The IUPAC name of 1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole (CID 134083855) is 1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole.
What is the SMILES notation for 1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole?
The canonical SMILES for 1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole is CCCCCCn1c(-c2ccc(-c3ccccc3)cc2)nc2cc(OC)ccc21.
What is the InChIKey of 1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole?
The InChIKey is DPSATKAEZSZDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-3-4-5-9-18-28-25-17-16-23(29-2)19-24(25)27-26(28)22-14-12-21(13-15-22)20-10-7-6-8-11-20/h6-8,10-17,19H,3-5,9,18H2,1-2H3.
What are the key properties of 1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole?
1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole has a molecular weight of 384.52 g/mol, XLogP of 6.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole is sourced from PubChem (CID 134083855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).