3-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-amine

C14H17N3S — CID 114202897

IUPAC3-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-amine
SMILESNc1ccc2nc(C3CCSC3)n(C3CC3)c2c1
InChIInChI=1S/C14H17N3S/c15-10-1-4-12-13(7-10)17(11-2-3-11)14(16-12)9-5-6-18-8-9/h1,4,7,9,11H,2-3,5-6,8,15H2
InChIKeyXGHOKYZVSCMJHS-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.17
Rot. Bonds2

About 3-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-amine

3-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-amine (PubChem CID 114202897) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 3-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-amine
PubChem CID114202897
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name3-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-amine
SMILESNc1ccc2nc(C3CCSC3)n(C3CC3)c2c1
InChIInChI=1S/C14H17N3S/c15-10-1-4-12-13(7-10)17(11-2-3-11)14(16-12)9-5-6-18-8-9/h1,4,7,9,11H,2-3,5-6,8,15H2
InChIKeyXGHOKYZVSCMJHS-UHFFFAOYSA-N
XLogP3.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine
CID 65037708
3-cyclopropyl-2-(thiadiazol-4-yl)benzimidazol-5-amine
CID 114202907
[3-methyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine
CID 104712857
2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine
CID 107298291
3-cyclopropyl-2-(2-methoxypropan-2-yl)benzimidazol-5-amine
CID 114202909
2-(6-amino-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-ol
CID 114202899
2-tert-butyl-1-(thiolan-3-yl)benzimidazol-5-amine
CID 103064824
3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)cyclopentan-1-amine
CID 115473273
3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclohexan-1-amine
CID 63044383
4-chloro-3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473292
1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridin-7-amine
CID 117251665
4-bromo-3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473276

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-amine?
The IUPAC name of 3-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-amine (CID 114202897) is 3-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-amine?
The canonical SMILES for 3-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-amine is Nc1ccc2nc(C3CCSC3)n(C3CC3)c2c1.
What is the InChIKey of 3-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-amine?
The InChIKey is XGHOKYZVSCMJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c15-10-1-4-12-13(7-10)17(11-2-3-11)14(16-12)9-5-6-18-8-9/h1,4,7,9,11H,2-3,5-6,8,15H2.
What are the key properties of 3-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-amine?
3-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-amine has a molecular weight of 259.38 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-amine is sourced from PubChem (CID 114202897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).