5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine

C12H17N3S — CID 64621123

IUPAC5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine
SMILESCC(N)CCCSc1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3S/c1-9(13)5-4-8-16-12-14-10-6-2-3-7-11(10)15-12/h2-3,6-7,9H,4-5,8,13H2,1H3,(H,14,15)
InChIKeyWCCQONOKRIIRQW-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.78
Rot. Bonds5

About 5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine

5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine (PubChem CID 64621123) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine
PubChem CID64621123
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine
SMILESCC(N)CCCSc1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3S/c1-9(13)5-4-8-16-12-14-10-6-2-3-7-11(10)15-12/h2-3,6-7,9H,4-5,8,13H2,1H3,(H,14,15)
InChIKeyWCCQONOKRIIRQW-UHFFFAOYSA-N
XLogP2.78
TPSA54.70 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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
2-pentylsulfanyl-1H-benzimidazole;hydrobromide
CID 171154912
2-octadecylsulfanyl-1H-benzimidazole;hydrobromide
CID 54609164
8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol
CID 22675439
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
3-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-1-amine
CID 61386461
N-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-4-methylpentan-1-amine
CID 62583736
4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylbutan-2-amine
CID 64621689
3-(1H-benzimidazol-2-ylsulfanyl)propyl-trimethylazanium;bromide;hydrobromide
CID 5351691
6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine
CID 106713292
2-[5-(1H-benzimidazol-2-yl)pentylsulfanyl]-1H-benzimidazole
CID 20685286
N-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]heptan-2-amine
CID 62585057

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine?
The IUPAC name of 5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine (CID 64621123) is 5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine.
What is the SMILES notation for 5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine?
The canonical SMILES for 5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine is CC(N)CCCSc1nc2ccccc2[nH]1.
What is the InChIKey of 5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine?
The InChIKey is WCCQONOKRIIRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9(13)5-4-8-16-12-14-10-6-2-3-7-11(10)15-12/h2-3,6-7,9H,4-5,8,13H2,1H3,(H,14,15).
What are the key properties of 5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine?
5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine has a molecular weight of 235.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine is sourced from PubChem (CID 64621123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).