[1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine

C15H19N3S — CID 65037708

IUPAC[1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine
SMILESNCc1ccc2c(c1)nc(C1CCSC1)n2C1CC1
InChIInChI=1S/C15H19N3S/c16-8-10-1-4-14-13(7-10)17-15(11-5-6-19-9-11)18(14)12-2-3-12/h1,4,7,11-12H,2-3,5-6,8-9,16H2
InChIKeyUCDOOBPOGHFTER-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.05
Rot. Bonds3

About [1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine

[1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine (PubChem CID 65037708) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is [1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine
PubChem CID65037708
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name[1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine
SMILESNCc1ccc2c(c1)nc(C1CCSC1)n2C1CC1
InChIInChI=1S/C15H19N3S/c16-8-10-1-4-14-13(7-10)17-15(11-5-6-19-9-11)18(14)12-2-3-12/h1,4,7,11-12H,2-3,5-6,8-9,16H2
InChIKeyUCDOOBPOGHFTER-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine?
The IUPAC name of [1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine (CID 65037708) is [1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine is NCc1ccc2c(c1)nc(C1CCSC1)n2C1CC1.
What is the InChIKey of [1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine?
The InChIKey is UCDOOBPOGHFTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c16-8-10-1-4-14-13(7-10)17-15(11-5-6-19-9-11)18(14)12-2-3-12/h1,4,7,11-12H,2-3,5-6,8-9,16H2.
What are the key properties of [1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine?
[1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine has a molecular weight of 273.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 65037708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).