1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole

C19H15ClN2S — CID 19242893

IUPAC1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole
SMILESClc1ccccc1Cn1c(Cc2cccs2)nc2ccccc21
InChIInChI=1S/C19H15ClN2S/c20-16-8-2-1-6-14(16)13-22-18-10-4-3-9-17(18)21-19(22)12-15-7-5-11-23-15/h1-11H,12-13H2
InChIKeyXOCKGALKGGDWLF-UHFFFAOYSA-N
MW338.86 g/mol
LogP5.39
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole

1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole (PubChem CID 19242893) has the molecular formula C19H15ClN2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole
PubChem CID19242893
Molecular FormulaC19H15ClN2S
Molecular Weight338.86 g/mol
Exact Mass338.06
IUPAC Name1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole
SMILESClc1ccccc1Cn1c(Cc2cccs2)nc2ccccc21
InChIInChI=1S/C19H15ClN2S/c20-16-8-2-1-6-14(16)13-22-18-10-4-3-9-17(18)21-19(22)12-15-7-5-11-23-15/h1-11H,12-13H2
InChIKeyXOCKGALKGGDWLF-UHFFFAOYSA-N
XLogP5.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.86
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 29075827
3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
CID 82144722
1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone
CID 19243714
1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 962448
4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine
CID 82144723
2-(azepan-1-ylmethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 18885363
1-[(2-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90664622
1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole
CID 19243007
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 16995673
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2992540
2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole
CID 16995695

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole (CID 19242893) is 1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole is Clc1ccccc1Cn1c(Cc2cccs2)nc2ccccc21.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole?
The InChIKey is XOCKGALKGGDWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2S/c20-16-8-2-1-6-14(16)13-22-18-10-4-3-9-17(18)21-19(22)12-15-7-5-11-23-15/h1-11H,12-13H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole?
1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole has a molecular weight of 338.86 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole is sourced from PubChem (CID 19242893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).