2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole

C16H17ClN2S — CID 106005364

IUPAC2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole
SMILESCCc1ccc(Cn2c(CCCl)nc3ccccc32)s1
InChIInChI=1S/C16H17ClN2S/c1-2-12-7-8-13(20-12)11-19-15-6-4-3-5-14(15)18-16(19)9-10-17/h3-8H,2,9-11H2,1H3
InChIKeyJHSXOYUWSWQRJT-UHFFFAOYSA-N
MW304.85 g/mol
LogP4.49
Rot. Bonds5

About 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole

2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole (PubChem CID 106005364) has the molecular formula C16H17ClN2S and a molecular weight of 304.85 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole
PubChem CID106005364
Molecular FormulaC16H17ClN2S
Molecular Weight304.85 g/mol
Exact Mass304.08
IUPAC Name2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole
SMILESCCc1ccc(Cn2c(CCCl)nc3ccccc32)s1
InChIInChI=1S/C16H17ClN2S/c1-2-12-7-8-13(20-12)11-19-15-6-4-3-5-14(15)18-16(19)9-10-17/h3-8H,2,9-11H2,1H3
InChIKeyJHSXOYUWSWQRJT-UHFFFAOYSA-N
XLogP4.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 54.49
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

6-chloro-2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole
CID 106005408
2-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]-5-fluorobenzimidazole
CID 106005367
2-(2-chloroethyl)-1-(thiophen-3-ylmethyl)benzimidazole
CID 63246452
2-(2-chloroethyl)-1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 106302994
2-(2-chloroethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 55135622
1-benzyl-2-propylbenzimidazole
CID 764560
1-[(5-bromothiophen-2-yl)methyl]-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292128
1-[(5-bromothiophen-2-yl)methyl]-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66079891
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
4-[2-[2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 106037000
1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole
CID 63106530
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole (CID 106005364) is 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole is CCc1ccc(Cn2c(CCCl)nc3ccccc32)s1.
What is the InChIKey of 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole?
The InChIKey is JHSXOYUWSWQRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2S/c1-2-12-7-8-13(20-12)11-19-15-6-4-3-5-14(15)18-16(19)9-10-17/h3-8H,2,9-11H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole?
2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole has a molecular weight of 304.85 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole is sourced from PubChem (CID 106005364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).