1-[4-[(3-chlorophenyl)methoxy]thiophen-2-yl]benzimidazole

C18H13ClN2OS — CID 71046064

IUPAC1-[4-[(3-chlorophenyl)methoxy]thiophen-2-yl]benzimidazole
SMILESClc1cccc(COc2csc(-n3cnc4ccccc43)c2)c1
InChIInChI=1S/C18H13ClN2OS/c19-14-5-3-4-13(8-14)10-22-15-9-18(23-11-15)21-12-20-16-6-1-2-7-17(16)21/h1-9,11-12H,10H2
InChIKeyRLHHLLHQKJAQPW-UHFFFAOYSA-N
MW340.84 g/mol
LogP5.32
Rot. Bonds4

About 1-[4-[(3-chlorophenyl)methoxy]thiophen-2-yl]benzimidazole

1-[4-[(3-chlorophenyl)methoxy]thiophen-2-yl]benzimidazole (PubChem CID 71046064) has the molecular formula C18H13ClN2OS and a molecular weight of 340.84 g/mol. Its IUPAC name is 1-[4-[(3-chlorophenyl)methoxy]thiophen-2-yl]benzimidazole.

Molecular Properties

Compound Name1-[4-[(3-chlorophenyl)methoxy]thiophen-2-yl]benzimidazole
PubChem CID71046064
Molecular FormulaC18H13ClN2OS
Molecular Weight340.84 g/mol
Exact Mass340.04
IUPAC Name1-[4-[(3-chlorophenyl)methoxy]thiophen-2-yl]benzimidazole
SMILESClc1cccc(COc2csc(-n3cnc4ccccc43)c2)c1
InChIInChI=1S/C18H13ClN2OS/c19-14-5-3-4-13(8-14)10-22-15-9-18(23-11-15)21-12-20-16-6-1-2-7-17(16)21/h1-9,11-12H,10H2
InChIKeyRLHHLLHQKJAQPW-UHFFFAOYSA-N
XLogP5.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.84
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(3-chlorophenyl)methoxy]thiophen-2-yl]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

5-bromo-1-[4-[(2-methylphenyl)methoxy]thiophen-2-yl]benzimidazole
CID 141085656
5-(5-chlorobenzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile
CID 11581407
5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carboxamide
CID 25263074
1-[4-[(3-chlorophenyl)methoxy]phenyl]indol-3-ol
CID 174573784
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-(1,5-dichloropentan-3-yloxy)benzimidazole
CID 89233156
1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole
CID 7697447
3-[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]benzimidazol-5-yl]oxypentane-1,5-diol
CID 71057037
5-chloro-1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-fluorobenzimidazole
CID 70911015
1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532
1-[4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-5,6-dimethoxybenzimidazole
CID 141085635

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]thiophen-2-yl]benzimidazole?
The IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]thiophen-2-yl]benzimidazole (CID 71046064) is 1-[4-[(3-chlorophenyl)methoxy]thiophen-2-yl]benzimidazole.
What is the SMILES notation for 1-[4-[(3-chlorophenyl)methoxy]thiophen-2-yl]benzimidazole?
The canonical SMILES for 1-[4-[(3-chlorophenyl)methoxy]thiophen-2-yl]benzimidazole is Clc1cccc(COc2csc(-n3cnc4ccccc43)c2)c1.
What is the InChIKey of 1-[4-[(3-chlorophenyl)methoxy]thiophen-2-yl]benzimidazole?
The InChIKey is RLHHLLHQKJAQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2OS/c19-14-5-3-4-13(8-14)10-22-15-9-18(23-11-15)21-12-20-16-6-1-2-7-17(16)21/h1-9,11-12H,10H2.
What are the key properties of 1-[4-[(3-chlorophenyl)methoxy]thiophen-2-yl]benzimidazole?
1-[4-[(3-chlorophenyl)methoxy]thiophen-2-yl]benzimidazole has a molecular weight of 340.84 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chlorophenyl)methoxy]thiophen-2-yl]benzimidazole is sourced from PubChem (CID 71046064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).