2-(3-methoxyphenyl)-1-pentylbenzimidazole

C19H22N2O — CID 17001673

IUPAC2-(3-methoxyphenyl)-1-pentylbenzimidazole
SMILESCCCCCn1c(-c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C19H22N2O/c1-3-4-7-13-21-18-12-6-5-11-17(18)20-19(21)15-9-8-10-16(14-15)22-2/h5-6,8-12,14H,3-4,7,13H2,1-2H3
InChIKeyHRHKYGVUTIDELE-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.90
Rot. Bonds6

About 2-(3-methoxyphenyl)-1-pentylbenzimidazole

2-(3-methoxyphenyl)-1-pentylbenzimidazole (PubChem CID 17001673) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-pentylbenzimidazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-pentylbenzimidazole
PubChem CID17001673
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-(3-methoxyphenyl)-1-pentylbenzimidazole
SMILESCCCCCn1c(-c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C19H22N2O/c1-3-4-7-13-21-18-12-6-5-11-17(18)20-19(21)15-9-8-10-16(14-15)22-2/h5-6,8-12,14H,3-4,7,13H2,1-2H3
InChIKeyHRHKYGVUTIDELE-UHFFFAOYSA-N
XLogP4.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.90
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-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole
CID 17001768
2-(3-methylphenyl)-1-octadecylbenzimidazole
CID 17000753
2-(3-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 17001765
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
2-(3-chlorophenyl)-1-octylbenzimidazole
CID 17001958
1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
CID 134083855
N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
CID 17001798
1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001717
3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propanethioamide
CID 94756511
2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032912
3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline
CID 82334366

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-pentylbenzimidazole?
The IUPAC name of 2-(3-methoxyphenyl)-1-pentylbenzimidazole (CID 17001673) is 2-(3-methoxyphenyl)-1-pentylbenzimidazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-pentylbenzimidazole?
The canonical SMILES for 2-(3-methoxyphenyl)-1-pentylbenzimidazole is CCCCCn1c(-c2cccc(OC)c2)nc2ccccc21.
What is the InChIKey of 2-(3-methoxyphenyl)-1-pentylbenzimidazole?
The InChIKey is HRHKYGVUTIDELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-3-4-7-13-21-18-12-6-5-11-17(18)20-19(21)15-9-8-10-16(14-15)22-2/h5-6,8-12,14H,3-4,7,13H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-pentylbenzimidazole?
2-(3-methoxyphenyl)-1-pentylbenzimidazole has a molecular weight of 294.40 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-pentylbenzimidazole is sourced from PubChem (CID 17001673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).