1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine

C16H18N4S — CID 80640002

IUPAC1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C16H18N4S/c1-2-12(17)9-11-7-8-15(18-10-11)21-16-19-13-5-3-4-6-14(13)20-16/h3-8,10,12H,2,9,17H2,1H3,(H,19,20)
InChIKeyFVLIXTGROFULDN-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.39
Rot. Bonds5

About 1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine

1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine (PubChem CID 80640002) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine
PubChem CID80640002
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC Name1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C16H18N4S/c1-2-12(17)9-11-7-8-15(18-10-11)21-16-19-13-5-3-4-6-14(13)20-16/h3-8,10,12H,2,9,17H2,1H3,(H,19,20)
InChIKeyFVLIXTGROFULDN-UHFFFAOYSA-N
XLogP3.39
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-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-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine
CID 80651373
1-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]propan-2-amine
CID 63819118
(1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938096
1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine
CID 80650885
1-[6-(1-methylpyrazol-4-yl)sulfanyl-3-pyridinyl]butan-2-amine
CID 80645212
6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine
CID 80647029
2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine
CID 80640192
3-[[5-(2-aminobutyl)-2-pyridinyl]sulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 80639454
[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol
CID 80651608
6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine
CID 80949788
2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole
CID 42135960
[4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine
CID 43657640

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine (CID 80640002) is 1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(Sc2nc3ccccc3[nH]2)nc1.
What is the InChIKey of 1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine?
The InChIKey is FVLIXTGROFULDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-2-12(17)9-11-7-8-15(18-10-11)21-16-19-13-5-3-4-6-14(13)20-16/h3-8,10,12H,2,9,17H2,1H3,(H,19,20).
What are the key properties of 1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine?
1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine has a molecular weight of 298.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80640002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).