1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine

C12H17N3S — CID 64621295

IUPAC1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine
SMILESCCC(CSc1nc2ccccc2[nH]1)NC
InChIInChI=1S/C12H17N3S/c1-3-9(13-2)8-16-12-14-10-6-4-5-7-11(10)15-12/h4-7,9,13H,3,8H2,1-2H3,(H,14,15)
InChIKeyYFKQAMWKPYUWTJ-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.65
Rot. Bonds5

About 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine

1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine (PubChem CID 64621295) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine
PubChem CID64621295
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine
SMILESCCC(CSc1nc2ccccc2[nH]1)NC
InChIInChI=1S/C12H17N3S/c1-3-9(13-2)8-16-12-14-10-6-4-5-7-11(10)15-12/h4-7,9,13H,3,8H2,1-2H3,(H,14,15)
InChIKeyYFKQAMWKPYUWTJ-UHFFFAOYSA-N
XLogP2.65
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine
CID 64621315
2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole
CID 42135960
3-(1H-benzimidazol-2-ylsulfanyl)-2-methylpropanenitrile
CID 43242882
1-(1H-benzimidazol-2-ylsulfanyl)-3-(propylamino)propan-2-ol
CID 43166361
3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol
CID 2827673
1-(1H-benzimidazol-2-ylsulfanyl)-3-(propan-2-ylamino)propan-2-ol
CID 43166360
3-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-1-amine
CID 61386461
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylbutan-2-amine
CID 64621689
2-octadecylsulfanyl-1H-benzimidazole;hydrobromide
CID 54609164
2-pentylsulfanyl-1H-benzimidazole;hydrobromide
CID 171154912
ethyl 4-(1H-benzimidazol-2-ylsulfanyl)-2-(methylamino)butanoate
CID 63034322

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine?
The IUPAC name of 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine (CID 64621295) is 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine is CCC(CSc1nc2ccccc2[nH]1)NC.
What is the InChIKey of 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine?
The InChIKey is YFKQAMWKPYUWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-9(13-2)8-16-12-14-10-6-4-5-7-11(10)15-12/h4-7,9,13H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine?
1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine has a molecular weight of 235.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine is sourced from PubChem (CID 64621295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).