2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid

C15H12N2O2S — CID 2484010

IUPAC2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid
SMILESO=C(O)c1ccccc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C15H12N2O2S/c18-14(19)11-6-2-1-5-10(11)9-20-15-16-12-7-3-4-8-13(12)17-15/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKeyOSEDENJNARMLNG-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.55
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid

2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid (PubChem CID 2484010) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid
PubChem CID2484010
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid
SMILESO=C(O)c1ccccc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C15H12N2O2S/c18-14(19)11-6-2-1-5-10(11)9-20-15-16-12-7-3-4-8-13(12)17-15/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKeyOSEDENJNARMLNG-UHFFFAOYSA-N
XLogP3.55
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid 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

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzoic acid
CID 28914466
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N,N-dipropylbenzamide
CID 60520349
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-hydroxypropyl)benzamide
CID 78796351
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N,N-bis(prop-2-enyl)benzamide
CID 112771435
[2-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112799561
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate
CID 39920834
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide
CID 55539810
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
CID 55470670
4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylfuran-2-carboxylic acid
CID 539647
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 51144196
N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
CID 119641397
2-[4-[2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-N-methylacetamide
CID 78801357

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid (CID 2484010) is 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid is O=C(O)c1ccccc1CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid?
The InChIKey is OSEDENJNARMLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-14(19)11-6-2-1-5-10(11)9-20-15-16-12-7-3-4-8-13(12)17-15/h1-8H,9H2,(H,16,17)(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid?
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid has a molecular weight of 284.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid is sourced from PubChem (CID 2484010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).