(3-chloro-1-benzothiophen-2-yl)-(2-methylbenzimidazol-1-yl)methanone

C17H11ClN2OS — CID 5133515

IUPAC(3-chloro-1-benzothiophen-2-yl)-(2-methylbenzimidazol-1-yl)methanone
SMILESCc1nc2ccccc2n1C(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C17H11ClN2OS/c1-10-19-12-7-3-4-8-13(12)20(10)17(21)16-15(18)11-6-2-5-9-14(11)22-16/h2-9H,1H3
InChIKeyAHOVTHBLMBXIDP-UHFFFAOYSA-N
MW326.81 g/mol
LogP4.90
Rot. Bonds1

About (3-chloro-1-benzothiophen-2-yl)-(2-methylbenzimidazol-1-yl)methanone

(3-chloro-1-benzothiophen-2-yl)-(2-methylbenzimidazol-1-yl)methanone (PubChem CID 5133515) has the molecular formula C17H11ClN2OS and a molecular weight of 326.81 g/mol. Its IUPAC name is (3-chloro-1-benzothiophen-2-yl)-(2-methylbenzimidazol-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-1-benzothiophen-2-yl)-(2-methylbenzimidazol-1-yl)methanone
PubChem CID5133515
Molecular FormulaC17H11ClN2OS
Molecular Weight326.81 g/mol
Exact Mass326.03
IUPAC Name(3-chloro-1-benzothiophen-2-yl)-(2-methylbenzimidazol-1-yl)methanone
SMILESCc1nc2ccccc2n1C(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C17H11ClN2OS/c1-10-19-12-7-3-4-8-13(12)20(10)17(21)16-15(18)11-6-2-5-9-14(11)22-16/h2-9H,1H3
InChIKeyAHOVTHBLMBXIDP-UHFFFAOYSA-N
XLogP4.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 791264
(3-chloro-1-benzothiophen-2-yl)-(5,6-dimethylbenzimidazol-1-yl)methanone
CID 4129966
(1-methylbenzimidazol-2-yl)methyl 3-chloro-1-benzothiophene-2-carboxylate
CID 2982999
N-(benzimidazolo[1,2-c]quinazolin-6-yl)-3-chloro-1-benzothiophene-2-carboxamide
CID 3290880
1-(3-chloro-1-benzothiophen-2-yl)ethanone;ethane
CID 142134856
(4-chloro-3,5-dinitrophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 4634432
(2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 791448
(2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone
CID 84554105
3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide
CID 14906132
3-chloro-1-benzothiophene-2-carboxylic acid;hydrochloride
CID 69253598
(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 748154
(3-chloro-1-benzothiophen-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 889572

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-benzothiophen-2-yl)-(2-methylbenzimidazol-1-yl)methanone?
The IUPAC name of (3-chloro-1-benzothiophen-2-yl)-(2-methylbenzimidazol-1-yl)methanone (CID 5133515) is (3-chloro-1-benzothiophen-2-yl)-(2-methylbenzimidazol-1-yl)methanone.
What is the SMILES notation for (3-chloro-1-benzothiophen-2-yl)-(2-methylbenzimidazol-1-yl)methanone?
The canonical SMILES for (3-chloro-1-benzothiophen-2-yl)-(2-methylbenzimidazol-1-yl)methanone is Cc1nc2ccccc2n1C(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of (3-chloro-1-benzothiophen-2-yl)-(2-methylbenzimidazol-1-yl)methanone?
The InChIKey is AHOVTHBLMBXIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2OS/c1-10-19-12-7-3-4-8-13(12)20(10)17(21)16-15(18)11-6-2-5-9-14(11)22-16/h2-9H,1H3.
What are the key properties of (3-chloro-1-benzothiophen-2-yl)-(2-methylbenzimidazol-1-yl)methanone?
(3-chloro-1-benzothiophen-2-yl)-(2-methylbenzimidazol-1-yl)methanone has a molecular weight of 326.81 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-benzothiophen-2-yl)-(2-methylbenzimidazol-1-yl)methanone is sourced from PubChem (CID 5133515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).