(1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine

C15H16N4S — CID 103938096

IUPAC(1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(Sc2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C15H16N4S/c1-2-11(16)12-8-7-10(9-17-12)20-15-18-13-5-3-4-6-14(13)19-15/h3-9,11H,2,16H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyCVXKLYJDWGTUHR-LLVKDONJSA-N
MW284.39 g/mol
LogP3.52
Rot. Bonds4

About (1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine

(1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine (PubChem CID 103938096) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is (1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine
PubChem CID103938096
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name(1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(Sc2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C15H16N4S/c1-2-11(16)12-8-7-10(9-17-12)20-15-18-13-5-3-4-6-14(13)19-15/h3-9,11H,2,16H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyCVXKLYJDWGTUHR-LLVKDONJSA-N
XLogP3.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-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

2-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 113355228
(1R)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 113355226
(1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938124
(1R)-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938082
1-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]propan-2-amine
CID 63819118
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355221
1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585012
(1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938100
1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine
CID 80640002
5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide
CID 115490107
(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355234
(1S)-1-(5-propan-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938158

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine?
The IUPAC name of (1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine (CID 103938096) is (1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine is CC[C@@H](N)c1ccc(Sc2nc3ccccc3[nH]2)cn1.
What is the InChIKey of (1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine?
The InChIKey is CVXKLYJDWGTUHR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-11(16)12-8-7-10(9-17-12)20-15-18-13-5-3-4-6-14(13)19-15/h3-9,11H,2,16H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine?
(1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine has a molecular weight of 284.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103938096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).