1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone

C20H15ClN2OS — CID 19243714

IUPAC1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone
SMILESO=C(Cn1c(Cc2cccs2)nc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2OS/c21-15-9-7-14(8-10-15)19(24)13-23-18-6-2-1-5-17(18)22-20(23)12-16-4-3-11-25-16/h1-11H,12-13H2
InChIKeyMOYYEQJOIPZZBD-UHFFFAOYSA-N
MW366.87 g/mol
LogP5.22
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone

1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone (PubChem CID 19243714) has the molecular formula C20H15ClN2OS and a molecular weight of 366.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone
PubChem CID19243714
Molecular FormulaC20H15ClN2OS
Molecular Weight366.87 g/mol
Exact Mass366.06
IUPAC Name1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone
SMILESO=C(Cn1c(Cc2cccs2)nc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2OS/c21-15-9-7-14(8-10-15)19(24)13-23-18-6-2-1-5-17(18)22-20(23)12-16-4-3-11-25-16/h1-11H,12-13H2
InChIKeyMOYYEQJOIPZZBD-UHFFFAOYSA-N
XLogP5.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.87
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetamide
CID 19242930
4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine
CID 82144723
1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242893
3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
CID 82144722
2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone
CID 51032263
1-(4-chlorophenyl)-2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]ethanone
CID 16997817
1-(4-chlorophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]ethanone
CID 16997569
1-(4-chlorophenyl)-2-(2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone
CID 1038265
N-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 16973875
1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole
CID 19243007
N-[[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007398
N-[3-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986364

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone (CID 19243714) is 1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone is O=C(Cn1c(Cc2cccs2)nc2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone?
The InChIKey is MOYYEQJOIPZZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2OS/c21-15-9-7-14(8-10-15)19(24)13-23-18-6-2-1-5-17(18)22-20(23)12-16-4-3-11-25-16/h1-11H,12-13H2.
What are the key properties of 1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone?
1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone has a molecular weight of 366.87 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 19243714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).