3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole

C13H11ClN4OS — CID 47364515

IUPAC3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole
SMILESClc1ccc2nc(SCc3noc(C4CC4)n3)[nH]c2c1
InChIInChI=1S/C13H11ClN4OS/c14-8-3-4-9-10(5-8)16-13(15-9)20-6-11-17-12(19-18-11)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16)
InChIKeyYXXPWIVLKCWSHK-UHFFFAOYSA-N
MW306.78 g/mol
LogP3.77
Rot. Bonds4

About 3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole

3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole (PubChem CID 47364515) has the molecular formula C13H11ClN4OS and a molecular weight of 306.78 g/mol. Its IUPAC name is 3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole
PubChem CID47364515
Molecular FormulaC13H11ClN4OS
Molecular Weight306.78 g/mol
Exact Mass306.03
IUPAC Name3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole
SMILESClc1ccc2nc(SCc3noc(C4CC4)n3)[nH]c2c1
InChIInChI=1S/C13H11ClN4OS/c14-8-3-4-9-10(5-8)16-13(15-9)20-6-11-17-12(19-18-11)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16)
InChIKeyYXXPWIVLKCWSHK-UHFFFAOYSA-N
XLogP3.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole 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 3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole (CID 47364515) is 3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole is Clc1ccc2nc(SCc3noc(C4CC4)n3)[nH]c2c1.
What is the InChIKey of 3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole?
The InChIKey is YXXPWIVLKCWSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4OS/c14-8-3-4-9-10(5-8)16-13(15-9)20-6-11-17-12(19-18-11)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16).
What are the key properties of 3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole?
3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 306.78 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 47364515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).