1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole

C21H20N2S — CID 19243007

IUPAC1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole
SMILESc1ccc(CCCn2c(Cc3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C21H20N2S/c1-2-8-17(9-3-1)10-6-14-23-20-13-5-4-12-19(20)22-21(23)16-18-11-7-15-24-18/h1-5,7-9,11-13,15H,6,10,14,16H2
InChIKeyFDKATBZDUWPOJS-UHFFFAOYSA-N
MW332.47 g/mol
LogP5.32
Rot. Bonds6

About 1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole

1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole (PubChem CID 19243007) has the molecular formula C21H20N2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole
PubChem CID19243007
Molecular FormulaC21H20N2S
Molecular Weight332.47 g/mol
Exact Mass332.13
IUPAC Name1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole
SMILESc1ccc(CCCn2c(Cc3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C21H20N2S/c1-2-8-17(9-3-1)10-6-14-23-20-13-5-4-12-19(20)22-21(23)16-18-11-7-15-24-18/h1-5,7-9,11-13,15H,6,10,14,16H2
InChIKeyFDKATBZDUWPOJS-UHFFFAOYSA-N
XLogP5.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.47
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole 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

3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
CID 82144722
4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine
CID 82144723
N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975605
1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242984
1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242980
1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242893
4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine
CID 16805688
N-phenyl-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetamide
CID 19242930
1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242958
1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole
CID 16996767
2-[1-butyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid
CID 82142170
1-[2-(2,5-dimethylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242940

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole?
The IUPAC name of 1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole (CID 19243007) is 1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole.
What is the SMILES notation for 1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole?
The canonical SMILES for 1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole is c1ccc(CCCn2c(Cc3cccs3)nc3ccccc32)cc1.
What is the InChIKey of 1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole?
The InChIKey is FDKATBZDUWPOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2S/c1-2-8-17(9-3-1)10-6-14-23-20-13-5-4-12-19(20)22-21(23)16-18-11-7-15-24-18/h1-5,7-9,11-13,15H,6,10,14,16H2.
What are the key properties of 1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole?
1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole has a molecular weight of 332.47 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole is sourced from PubChem (CID 19243007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).