2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol

C14H14N2OS — CID 81432482

IUPAC2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(CCCc3cccs3)[nH]c2c1
InChIInChI=1S/C14H14N2OS/c17-10-6-7-12-13(9-10)16-14(15-12)5-1-3-11-4-2-8-18-11/h2,4,6-9,17H,1,3,5H2,(H,15,16)
InChIKeySAJPYUZDFSJRLF-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.51
Rot. Bonds4

About 2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol

2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol (PubChem CID 81432482) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol
PubChem CID81432482
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(CCCc3cccs3)[nH]c2c1
InChIInChI=1S/C14H14N2OS/c17-10-6-7-12-13(9-10)16-14(15-12)5-1-3-11-4-2-8-18-11/h2,4,6-9,17H,1,3,5H2,(H,15,16)
InChIKeySAJPYUZDFSJRLF-UHFFFAOYSA-N
XLogP3.51
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-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

6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole
CID 60978921
5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole
CID 11846692
5-(6-hydroxy-1H-benzimidazol-2-yl)pentanoic acid
CID 81431385
4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole
CID 60978360
2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol
CID 81431647
N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 17406287
6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole
CID 60978374
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 17417855
4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid
CID 162023239
2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 66526955
2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid
CID 82142003
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 53274257

Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol (CID 81432482) is 2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol is Oc1ccc2nc(CCCc3cccs3)[nH]c2c1.
What is the InChIKey of 2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol?
The InChIKey is SAJPYUZDFSJRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c17-10-6-7-12-13(9-10)16-14(15-12)5-1-3-11-4-2-8-18-11/h2,4,6-9,17H,1,3,5H2,(H,15,16).
What are the key properties of 2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol?
2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol has a molecular weight of 258.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 81432482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).