2-benzylsulfanylbenzimidazol-1-amine

C14H13N3S — CID 3490803

IUPAC2-benzylsulfanylbenzimidazol-1-amine
SMILESNn1c(SCc2ccccc2)nc2ccccc21
InChIInChI=1S/C14H13N3S/c15-17-13-9-5-4-8-12(13)16-14(17)18-10-11-6-2-1-3-7-11/h1-9H,10,15H2
InChIKeyKXBZSMVDOKIKKL-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.04
Rot. Bonds3

About 2-benzylsulfanylbenzimidazol-1-amine

2-benzylsulfanylbenzimidazol-1-amine (PubChem CID 3490803) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-benzylsulfanylbenzimidazol-1-amine.

Molecular Properties

Compound Name2-benzylsulfanylbenzimidazol-1-amine
PubChem CID3490803
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2-benzylsulfanylbenzimidazol-1-amine
SMILESNn1c(SCc2ccccc2)nc2ccccc21
InChIInChI=1S/C14H13N3S/c15-17-13-9-5-4-8-12(13)16-14(17)18-10-11-6-2-1-3-7-11/h1-9H,10,15H2
InChIKeyKXBZSMVDOKIKKL-UHFFFAOYSA-N
XLogP3.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanylbenzimidazol-1-amine?
The IUPAC name of 2-benzylsulfanylbenzimidazol-1-amine (CID 3490803) is 2-benzylsulfanylbenzimidazol-1-amine.
What is the SMILES notation for 2-benzylsulfanylbenzimidazol-1-amine?
The canonical SMILES for 2-benzylsulfanylbenzimidazol-1-amine is Nn1c(SCc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-benzylsulfanylbenzimidazol-1-amine?
The InChIKey is KXBZSMVDOKIKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c15-17-13-9-5-4-8-12(13)16-14(17)18-10-11-6-2-1-3-7-11/h1-9H,10,15H2.
What are the key properties of 2-benzylsulfanylbenzimidazol-1-amine?
2-benzylsulfanylbenzimidazol-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanylbenzimidazol-1-amine is sourced from PubChem (CID 3490803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).