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

C14H13ClN2S — CID 63246452

IUPAC2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole
SMILESClCCc1nc2ccccc2n1Cc1ccsc1
InChIInChI=1S/C14H13ClN2S/c15-7-5-14-16-12-3-1-2-4-13(12)17(14)9-11-6-8-18-10-11/h1-4,6,8,10H,5,7,9H2
InChIKeyQCBJPVXEEXEKAI-UHFFFAOYSA-N
MW276.79 g/mol
LogP3.93
Rot. Bonds4

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

2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole (PubChem CID 63246452) has the molecular formula C14H13ClN2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole
PubChem CID63246452
Molecular FormulaC14H13ClN2S
Molecular Weight276.79 g/mol
Exact Mass276.05
IUPAC Name2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole
SMILESClCCc1nc2ccccc2n1Cc1ccsc1
InChIInChI=1S/C14H13ClN2S/c15-7-5-14-16-12-3-1-2-4-13(12)17(14)9-11-6-8-18-10-11/h1-4,6,8,10H,5,7,9H2
InChIKeyQCBJPVXEEXEKAI-UHFFFAOYSA-N
XLogP3.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole
CID 55173723
2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole
CID 61477875
2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine
CID 79292245
2-(2-chloroethyl)-5-fluoro-6-methoxy-1-(thiophen-3-ylmethyl)benzimidazole
CID 63599156
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole
CID 106005364
1-benzyl-2-propylbenzimidazole
CID 764560
2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole
CID 43666246
2-(2-chloroethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 55135622
2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine
CID 55175058
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
2-(2-chloroethyl)-7-methyl-3-(thiophen-3-ylmethyl)imidazo[4,5-b]pyridine
CID 79293233

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole (CID 63246452) is 2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole is ClCCc1nc2ccccc2n1Cc1ccsc1.
What is the InChIKey of 2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole?
The InChIKey is QCBJPVXEEXEKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2S/c15-7-5-14-16-12-3-1-2-4-13(12)17(14)9-11-6-8-18-10-11/h1-4,6,8,10H,5,7,9H2.
What are the key properties of 2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole?
2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole has a molecular weight of 276.79 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole is sourced from PubChem (CID 63246452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).