[2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine

C10H13N3S — CID 104721264

IUPAC[2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine
SMILESCSCc1nc2c(CN)cccc2[nH]1
InChIInChI=1S/C10H13N3S/c1-14-6-9-12-8-4-2-3-7(5-11)10(8)13-9/h2-4H,5-6,11H2,1H3,(H,12,13)
InChIKeyBZRVWTWWHHIZOQ-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.88
Rot. Bonds3

About [2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine

[2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 104721264) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is [2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine
PubChem CID104721264
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name[2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine
SMILESCSCc1nc2c(CN)cccc2[nH]1
InChIInChI=1S/C10H13N3S/c1-14-6-9-12-8-4-2-3-7(5-11)10(8)13-9/h2-4H,5-6,11H2,1H3,(H,12,13)
InChIKeyBZRVWTWWHHIZOQ-UHFFFAOYSA-N
XLogP1.88
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721226
[2-(propoxymethyl)-1H-benzimidazol-4-yl]methanamine
CID 107941841
[2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine
CID 104721289
[2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721162
[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 103311170
[2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine
CID 104721339
[2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721320
[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721321
[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721233
[2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine
CID 114040741
[2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721322
[2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721059

Frequently Asked Questions

What is the IUPAC name of [2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine (CID 104721264) is [2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine is CSCc1nc2c(CN)cccc2[nH]1.
What is the InChIKey of [2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is BZRVWTWWHHIZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-14-6-9-12-8-4-2-3-7(5-11)10(8)13-9/h2-4H,5-6,11H2,1H3,(H,12,13).
What are the key properties of [2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine?
[2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine has a molecular weight of 207.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).