4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole

C15H12ClN7S — CID 135230272

IUPAC4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole
SMILESCn1nnnc1-n1c(SCc2ccccn2)nc2c(Cl)cccc21
InChIInChI=1S/C15H12ClN7S/c1-22-14(19-20-21-22)23-12-7-4-6-11(16)13(12)18-15(23)24-9-10-5-2-3-8-17-10/h2-8H,9H2,1H3
InChIKeyFILCKVWPNHZKEV-UHFFFAOYSA-N
MW357.83 g/mol
LogP2.89
Rot. Bonds4

About 4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole

4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole (PubChem CID 135230272) has the molecular formula C15H12ClN7S and a molecular weight of 357.83 g/mol. Its IUPAC name is 4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole
PubChem CID135230272
Molecular FormulaC15H12ClN7S
Molecular Weight357.83 g/mol
Exact Mass357.06
IUPAC Name4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole
SMILESCn1nnnc1-n1c(SCc2ccccn2)nc2c(Cl)cccc21
InChIInChI=1S/C15H12ClN7S/c1-22-14(19-20-21-22)23-12-7-4-6-11(16)13(12)18-15(23)24-9-10-5-2-3-8-17-10/h2-8H,9H2,1H3
InChIKeyFILCKVWPNHZKEV-UHFFFAOYSA-N
XLogP2.89
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole?
The IUPAC name of 4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole (CID 135230272) is 4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole.
What is the SMILES notation for 4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole?
The canonical SMILES for 4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole is Cn1nnnc1-n1c(SCc2ccccn2)nc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole?
The InChIKey is FILCKVWPNHZKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN7S/c1-22-14(19-20-21-22)23-12-7-4-6-11(16)13(12)18-15(23)24-9-10-5-2-3-8-17-10/h2-8H,9H2,1H3.
What are the key properties of 4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole?
4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole has a molecular weight of 357.83 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1-methyltetrazol-5-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole is sourced from PubChem (CID 135230272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).