4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole

C14H12Cl2N2S — CID 104837421

IUPAC4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
SMILESClCc1nc2c(Cl)cccc2n1CCc1cccs1
InChIInChI=1S/C14H12Cl2N2S/c15-9-13-17-14-11(16)4-1-5-12(14)18(13)7-6-10-3-2-8-19-10/h1-5,8H,6-7,9H2
InChIKeyNFZULGVFDBQZRW-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.73
Rot. Bonds4

About 4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole

4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole (PubChem CID 104837421) has the molecular formula C14H12Cl2N2S and a molecular weight of 311.24 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
PubChem CID104837421
Molecular FormulaC14H12Cl2N2S
Molecular Weight311.24 g/mol
Exact Mass310.01
IUPAC Name4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
SMILESClCc1nc2c(Cl)cccc2n1CCc1cccs1
InChIInChI=1S/C14H12Cl2N2S/c15-9-13-17-14-11(16)4-1-5-12(14)18(13)7-6-10-3-2-8-19-10/h1-5,8H,6-7,9H2
InChIKeyNFZULGVFDBQZRW-UHFFFAOYSA-N
XLogP4.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 54.73
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

4-chloro-2-(1-chloroethyl)-1-(2-thiophen-2-ylethyl)benzimidazole
CID 104837422
4-chloro-2-(chloromethyl)-1-(2-pyridin-4-ylethyl)benzimidazole
CID 104837726
1-butyl-4-chloro-2-(chloromethyl)benzimidazole
CID 104837320
4-chloro-2-(chloromethyl)-1-(2-pyridin-2-ylethyl)benzimidazole
CID 104837353
4-chloro-2-(chloromethyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 104838062
4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine
CID 104836904
4-chloro-2-(chloromethyl)-1-[2-(3-methylphenyl)ethyl]benzimidazole
CID 104838039
2-(chloromethyl)-7-methyl-1-(2-thiophen-2-ylethyl)benzimidazole
CID 115552755
4-chloro-2-(chloromethyl)-1-[(3-methylthiophen-2-yl)methyl]benzimidazole
CID 104838484
4-chloro-2-(chloromethyl)-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
CID 113459146
4-chloro-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole
CID 104838543
4-chloro-2-(2-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole
CID 104838120

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole?
The IUPAC name of 4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole (CID 104837421) is 4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole?
The canonical SMILES for 4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole is ClCc1nc2c(Cl)cccc2n1CCc1cccs1.
What is the InChIKey of 4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole?
The InChIKey is NFZULGVFDBQZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2S/c15-9-13-17-14-11(16)4-1-5-12(14)18(13)7-6-10-3-2-8-19-10/h1-5,8H,6-7,9H2.
What are the key properties of 4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole?
4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole has a molecular weight of 311.24 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)-1-(2-thiophen-2-ylethyl)benzimidazole is sourced from PubChem (CID 104837421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).