6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol

C21H26N2O2 — CID 177375660

IUPAC6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol
SMILESCOc1ccc(Cc2nc3ccccc3n2CCCCCCO)cc1
InChIInChI=1S/C21H26N2O2/c1-25-18-12-10-17(11-13-18)16-21-22-19-8-4-5-9-20(19)23(21)14-6-2-3-7-15-24/h4-5,8-13,24H,2-3,6-7,14-16H2,1H3
InChIKeyPGJVVBPSNKVSTF-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.19
Rot. Bonds9

About 6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol

6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol (PubChem CID 177375660) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol
PubChem CID177375660
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol
SMILESCOc1ccc(Cc2nc3ccccc3n2CCCCCCO)cc1
InChIInChI=1S/C21H26N2O2/c1-25-18-12-10-17(11-13-18)16-21-22-19-8-4-5-9-20(19)23(21)14-6-2-3-7-15-24/h4-5,8-13,24H,2-3,6-7,14-16H2,1H3
InChIKeyPGJVVBPSNKVSTF-UHFFFAOYSA-N
XLogP4.19
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol 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-[4-(2,6-dimethylphenoxy)butyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995940
2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879090
3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propanenitrile
CID 82144754
1-[4-(2,4-dimethylphenoxy)butyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995939
2-benzyl-1-hexadecylbenzimidazole
CID 4627397
2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanethioamide
CID 39151397
2-[(3,4-dimethoxyphenyl)methyl]-1-octadecylbenzimidazole
CID 18878488
2-[(3,4-dimethoxyphenyl)methyl]-1-octylbenzimidazole
CID 18878494
2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole
CID 18878400
2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole
CID 18879081
1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995937
N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032573

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol?
The IUPAC name of 6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol (CID 177375660) is 6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol.
What is the SMILES notation for 6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol?
The canonical SMILES for 6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol is COc1ccc(Cc2nc3ccccc3n2CCCCCCO)cc1.
What is the InChIKey of 6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol?
The InChIKey is PGJVVBPSNKVSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-18-12-10-17(11-13-18)16-21-22-19-8-4-5-9-20(19)23(21)14-6-2-3-7-15-24/h4-5,8-13,24H,2-3,6-7,14-16H2,1H3.
What are the key properties of 6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol?
6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol has a molecular weight of 338.45 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol is sourced from PubChem (CID 177375660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).