2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole

C17H18N2O — CID 697370

IUPAC2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole
SMILESCOc1ccc(CCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H18N2O/c1-20-14-11-9-13(10-12-14)5-4-8-17-18-15-6-2-3-7-16(15)19-17/h2-3,6-7,9-12H,4-5,8H2,1H3,(H,18,19)
InChIKeyIVCCYLMOMPQERQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.75
Rot. Bonds5

About 2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole

2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole (PubChem CID 697370) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole
PubChem CID697370
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole
SMILESCOc1ccc(CCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H18N2O/c1-20-14-11-9-13(10-12-14)5-4-8-17-18-15-6-2-3-7-16(15)19-17/h2-3,6-7,9-12H,4-5,8H2,1H3,(H,18,19)
InChIKeyIVCCYLMOMPQERQ-UHFFFAOYSA-N
XLogP3.75
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole?
The IUPAC name of 2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole (CID 697370) is 2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole is COc1ccc(CCCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole?
The InChIKey is IVCCYLMOMPQERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-20-14-11-9-13(10-12-14)5-4-8-17-18-15-6-2-3-7-16(15)19-17/h2-3,6-7,9-12H,4-5,8H2,1H3,(H,18,19).
What are the key properties of 2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole?
2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole has a molecular weight of 266.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole is sourced from PubChem (CID 697370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).