2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole

C16H17ClN2S — CID 62843335

IUPAC2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2C(C)c1ccsc1
InChIInChI=1S/C16H17ClN2S/c1-11-3-4-15-14(9-11)18-16(5-7-17)19(15)12(2)13-6-8-20-10-13/h3-4,6,8-10,12H,5,7H2,1-2H3
InChIKeyMJNUDYRHSIEQJD-UHFFFAOYSA-N
MW304.85 g/mol
LogP4.80
Rot. Bonds4

About 2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole

2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole (PubChem CID 62843335) has the molecular formula C16H17ClN2S and a molecular weight of 304.85 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole
PubChem CID62843335
Molecular FormulaC16H17ClN2S
Molecular Weight304.85 g/mol
Exact Mass304.08
IUPAC Name2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2C(C)c1ccsc1
InChIInChI=1S/C16H17ClN2S/c1-11-3-4-15-14(9-11)18-16(5-7-17)19(15)12(2)13-6-8-20-10-13/h3-4,6,8-10,12H,5,7H2,1-2H3
InChIKeyMJNUDYRHSIEQJD-UHFFFAOYSA-N
XLogP4.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 54.80
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-(1-thiophen-3-ylethyl)benzimidazole
CID 62843511
2-(2-chloroethyl)-6,7-difluoro-1-(1-thiophen-3-ylethyl)benzimidazole
CID 62843693
5-chloro-2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole
CID 66112395
2-(2-chloroethyl)-5-iodo-1-(1-pyridin-4-ylethyl)benzimidazole
CID 66080837
2-(2-chloroethyl)-5-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole
CID 61477574
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333157
2-(2-chloroethyl)-1-(1-imidazol-1-ylpropan-2-yl)-5-methylbenzimidazole
CID 61482854
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 60785148
5-bromo-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine
CID 62843687
2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine
CID 62843355
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole (CID 62843335) is 2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole is Cc1ccc2c(c1)nc(CCCl)n2C(C)c1ccsc1.
What is the InChIKey of 2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole?
The InChIKey is MJNUDYRHSIEQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2S/c1-11-3-4-15-14(9-11)18-16(5-7-17)19(15)12(2)13-6-8-20-10-13/h3-4,6,8-10,12H,5,7H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole?
2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole has a molecular weight of 304.85 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole is sourced from PubChem (CID 62843335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).