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

C13H17N3S — CID 104712857

IUPAC[3-methyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine
SMILESCn1c(C2CCSC2)nc2ccc(CN)cc21
InChIInChI=1S/C13H17N3S/c1-16-12-6-9(7-14)2-3-11(12)15-13(16)10-4-5-17-8-10/h2-3,6,10H,4-5,7-8,14H2,1H3
InChIKeyILLOCHBPHTVYOY-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.25
Rot. Bonds2

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

[3-methyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine (PubChem CID 104712857) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is [3-methyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine
PubChem CID104712857
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name[3-methyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine
SMILESCn1c(C2CCSC2)nc2ccc(CN)cc21
InChIInChI=1S/C13H17N3S/c1-16-12-6-9(7-14)2-3-11(12)15-13(16)10-4-5-17-8-10/h2-3,6,10H,4-5,7-8,14H2,1H3
InChIKeyILLOCHBPHTVYOY-UHFFFAOYSA-N
XLogP2.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine
CID 65037708
[1-methyl-2-(thiolan-3-yl)benzimidazol-4-yl]methanamine
CID 104721367
(2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine
CID 65040386
6-(aminomethyl)-1-methylbenzimidazol-2-amine
CID 84767207
[2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine
CID 103167106
3-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-amine
CID 114202897
[3-(thiolan-3-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143199
[6-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104713063
6-chloro-2-cyclopropyl-1-methylbenzimidazole
CID 46310330
1-tert-butyl-2-(thiolan-3-yl)benzimidazole-5-carbonitrile
CID 65040611
[3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 117138239
1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
CID 82497493

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine?
The IUPAC name of [3-methyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine (CID 104712857) is [3-methyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [3-methyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [3-methyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine is Cn1c(C2CCSC2)nc2ccc(CN)cc21.
What is the InChIKey of [3-methyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine?
The InChIKey is ILLOCHBPHTVYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-16-12-6-9(7-14)2-3-11(12)15-13(16)10-4-5-17-8-10/h2-3,6,10H,4-5,7-8,14H2,1H3.
What are the key properties of [3-methyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine?
[3-methyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine has a molecular weight of 247.37 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 104712857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).