[2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine

C13H19N3S — CID 65037754

IUPAC[2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
SMILESCSCc1nc2cc(CN)ccc2n1C(C)C
InChIInChI=1S/C13H19N3S/c1-9(2)16-12-5-4-10(7-14)6-11(12)15-13(16)8-17-3/h4-6,9H,7-8,14H2,1-3H3
InChIKeyBTCHWANABUMPMS-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.94
Rot. Bonds4

About [2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine

[2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine (PubChem CID 65037754) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is [2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
PubChem CID65037754
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name[2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
SMILESCSCc1nc2cc(CN)ccc2n1C(C)C
InChIInChI=1S/C13H19N3S/c1-9(2)16-12-5-4-10(7-14)6-11(12)15-13(16)8-17-3/h4-6,9H,7-8,14H2,1-3H3
InChIKeyBTCHWANABUMPMS-UHFFFAOYSA-N
XLogP2.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine
CID 65038212
[2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65038230
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 82333500
[2-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 115950378
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82333475
(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 60784993
(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037847
[2-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65037701
(2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037850
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol
CID 82333770
[1-propan-2-yl-2-(thian-2-yl)benzimidazol-5-yl]methanamine
CID 80595198
(1-propan-2-yl-2-pyrazin-2-ylbenzimidazol-5-yl)methanamine
CID 65037653

Frequently Asked Questions

What is the IUPAC name of [2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine (CID 65037754) is [2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine is CSCc1nc2cc(CN)ccc2n1C(C)C.
What is the InChIKey of [2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
The InChIKey is BTCHWANABUMPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9(2)16-12-5-4-10(7-14)6-11(12)15-13(16)8-17-3/h4-6,9H,7-8,14H2,1-3H3.
What are the key properties of [2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine?
[2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine has a molecular weight of 249.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 65037754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).