2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine

C15H19N3S — CID 107298291

IUPAC2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)nc(C1CC1)n2CC1CCSC1
InChIInChI=1S/C15H19N3S/c16-12-3-4-14-13(7-12)17-15(11-1-2-11)18(14)8-10-5-6-19-9-10/h3-4,7,10-11H,1-2,5-6,8-9,16H2
InChIKeyWTMKPDPGSCIPEN-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.25
Rot. Bonds3

About 2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine

2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine (PubChem CID 107298291) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine
PubChem CID107298291
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)nc(C1CC1)n2CC1CCSC1
InChIInChI=1S/C15H19N3S/c16-12-3-4-14-13(7-12)17-15(11-1-2-11)18(14)8-10-5-6-19-9-10/h3-4,7,10-11H,1-2,5-6,8-9,16H2
InChIKeyWTMKPDPGSCIPEN-UHFFFAOYSA-N
XLogP3.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine?
The IUPAC name of 2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine (CID 107298291) is 2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine?
The canonical SMILES for 2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine is Nc1ccc2c(c1)nc(C1CC1)n2CC1CCSC1.
What is the InChIKey of 2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine?
The InChIKey is WTMKPDPGSCIPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c16-12-3-4-14-13(7-12)17-15(11-1-2-11)18(14)8-10-5-6-19-9-10/h3-4,7,10-11H,1-2,5-6,8-9,16H2.
What are the key properties of 2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine?
2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine has a molecular weight of 273.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine is sourced from PubChem (CID 107298291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).