1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole

C26H28N2O — CID 17000838

IUPAC1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
SMILESCCc1ccc(OCCCCn2c(-c3cccc(C)c3)nc3ccccc32)cc1
InChIInChI=1S/C26H28N2O/c1-3-21-13-15-23(16-14-21)29-18-7-6-17-28-25-12-5-4-11-24(25)27-26(28)22-10-8-9-20(2)19-22/h4-5,8-16,19H,3,6-7,17-18H2,1-2H3
InChIKeyNOWNKINDVGHBOP-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.43
Rot. Bonds8

About 1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole

1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole (PubChem CID 17000838) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
PubChem CID17000838
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
SMILESCCc1ccc(OCCCCn2c(-c3cccc(C)c3)nc3ccccc32)cc1
InChIInChI=1S/C26H28N2O/c1-3-21-13-15-23(16-14-21)29-18-7-6-17-28-25-12-5-4-11-24(25)27-26(28)22-10-8-9-20(2)19-22/h4-5,8-16,19H,3,6-7,17-18H2,1-2H3
InChIKeyNOWNKINDVGHBOP-UHFFFAOYSA-N
XLogP6.43
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 ≤ 56.43
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

1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000870
2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 17002176
1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole
CID 17002067
1-[4-(2,4-dimethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000824
2-(3-methylphenyl)-1-octadecylbenzimidazole
CID 17000753
1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997919
2-(2,4-dichlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16987792
2-(4-bromophenyl)-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
CID 17001185
N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967125
1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole
CID 17000799
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000788
2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16998389

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole?
The IUPAC name of 1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole (CID 17000838) is 1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole.
What is the SMILES notation for 1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole?
The canonical SMILES for 1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole is CCc1ccc(OCCCCn2c(-c3cccc(C)c3)nc3ccccc32)cc1.
What is the InChIKey of 1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole?
The InChIKey is NOWNKINDVGHBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-3-21-13-15-23(16-14-21)29-18-7-6-17-28-25-12-5-4-11-24(25)27-26(28)22-10-8-9-20(2)19-22/h4-5,8-16,19H,3,6-7,17-18H2,1-2H3.
What are the key properties of 1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole?
1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole has a molecular weight of 384.52 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole is sourced from PubChem (CID 17000838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).