[1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol

C17H13ClN2OS — CID 112803208

IUPAC[1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1Cc1sc2ccccc2c1Cl
InChIInChI=1S/C17H13ClN2OS/c18-17-11-5-1-4-8-14(11)22-15(17)9-20-13-7-3-2-6-12(13)19-16(20)10-21/h1-8,21H,9-10H2
InChIKeyWULSGAMZTCHMNG-UHFFFAOYSA-N
MW328.82 g/mol
LogP4.45
Rot. Bonds3

About [1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol

[1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol (PubChem CID 112803208) has the molecular formula C17H13ClN2OS and a molecular weight of 328.82 g/mol. Its IUPAC name is [1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol
PubChem CID112803208
Molecular FormulaC17H13ClN2OS
Molecular Weight328.82 g/mol
Exact Mass328.04
IUPAC Name[1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1Cc1sc2ccccc2c1Cl
InChIInChI=1S/C17H13ClN2OS/c18-17-11-5-1-4-8-14(11)22-15(17)9-20-13-7-3-2-6-12(13)19-16(20)10-21/h1-8,21H,9-10H2
InChIKeyWULSGAMZTCHMNG-UHFFFAOYSA-N
XLogP4.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methylbenzimidazol-2-yl)methyl 3-chloro-1-benzothiophene-2-carboxylate
CID 2982999
[1-(methoxymethyl)benzimidazol-2-yl]methanol
CID 1233949
[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-yl]methanol
CID 110885700
[1-[(5-fluoroquinolin-8-yl)methyl]benzimidazol-2-yl]methanol
CID 110889555
(1-benzyl-6-chlorobenzimidazol-2-yl)methanol
CID 46311001
(1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 94379793
[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol
CID 110879877
[1-[(2-chloro-5-nitrophenyl)methyl]benzimidazol-2-yl]methanol
CID 118108475
[1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol
CID 962459
3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3160745
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3155712
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol (CID 112803208) is [1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol is OCc1nc2ccccc2n1Cc1sc2ccccc2c1Cl.
What is the InChIKey of [1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol?
The InChIKey is WULSGAMZTCHMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2OS/c18-17-11-5-1-4-8-14(11)22-15(17)9-20-13-7-3-2-6-12(13)19-16(20)10-21/h1-8,21H,9-10H2.
What are the key properties of [1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol?
[1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol has a molecular weight of 328.82 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 112803208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).