[1-methyl-2-(thiolan-3-yl)benzimidazol-4-yl]methanamine

C13H17N3S — CID 104721367

IUPAC[1-methyl-2-(thiolan-3-yl)benzimidazol-4-yl]methanamine
SMILESCn1c(C2CCSC2)nc2c(CN)cccc21
InChIInChI=1S/C13H17N3S/c1-16-11-4-2-3-9(7-14)12(11)15-13(16)10-5-6-17-8-10/h2-4,10H,5-8,14H2,1H3
InChIKeyKWKSGQDSIXDBKS-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.25
Rot. Bonds2

About [1-methyl-2-(thiolan-3-yl)benzimidazol-4-yl]methanamine

[1-methyl-2-(thiolan-3-yl)benzimidazol-4-yl]methanamine (PubChem CID 104721367) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is [1-methyl-2-(thiolan-3-yl)benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-(thiolan-3-yl)benzimidazol-4-yl]methanamine
PubChem CID104721367
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name[1-methyl-2-(thiolan-3-yl)benzimidazol-4-yl]methanamine
SMILESCn1c(C2CCSC2)nc2c(CN)cccc21
InChIInChI=1S/C13H17N3S/c1-16-11-4-2-3-9(7-14)12(11)15-13(16)10-5-6-17-8-10/h2-4,10H,5-8,14H2,1H3
InChIKeyKWKSGQDSIXDBKS-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

(2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine
CID 104721457
[1-methyl-2-(thiolan-2-yl)benzimidazol-4-yl]methanamine
CID 104721614
[3-methyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine
CID 104712857
[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104721498
4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine
CID 84776913
1-chloro-5-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine
CID 117250336
(1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine
CID 113445267
[1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine
CID 104721357
(1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine
CID 104721406
[1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine
CID 104721634
[1-cyclopropyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine
CID 65037708
1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridin-5-ol
CID 117250297

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(thiolan-3-yl)benzimidazol-4-yl]methanamine?
The IUPAC name of [1-methyl-2-(thiolan-3-yl)benzimidazol-4-yl]methanamine (CID 104721367) is [1-methyl-2-(thiolan-3-yl)benzimidazol-4-yl]methanamine.
What is the SMILES notation for [1-methyl-2-(thiolan-3-yl)benzimidazol-4-yl]methanamine?
The canonical SMILES for [1-methyl-2-(thiolan-3-yl)benzimidazol-4-yl]methanamine is Cn1c(C2CCSC2)nc2c(CN)cccc21.
What is the InChIKey of [1-methyl-2-(thiolan-3-yl)benzimidazol-4-yl]methanamine?
The InChIKey is KWKSGQDSIXDBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-16-11-4-2-3-9(7-14)12(11)15-13(16)10-5-6-17-8-10/h2-4,10H,5-8,14H2,1H3.
What are the key properties of [1-methyl-2-(thiolan-3-yl)benzimidazol-4-yl]methanamine?
[1-methyl-2-(thiolan-3-yl)benzimidazol-4-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 [1-methyl-2-(thiolan-3-yl)benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).