6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine

C15H23N3S — CID 106713292

IUPAC6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine
SMILESCC(C)(CN)CCCCSc1nc2ccccc2[nH]1
InChIInChI=1S/C15H23N3S/c1-15(2,11-16)9-5-6-10-19-14-17-12-7-3-4-8-13(12)18-14/h3-4,7-8H,5-6,9-11,16H2,1-2H3,(H,17,18)
InChIKeyWYUHXZGZZBBMFD-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.81
Rot. Bonds7

About 6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine

6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine (PubChem CID 106713292) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine
PubChem CID106713292
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine
SMILESCC(C)(CN)CCCCSc1nc2ccccc2[nH]1
InChIInChI=1S/C15H23N3S/c1-15(2,11-16)9-5-6-10-19-14-17-12-7-3-4-8-13(12)18-14/h3-4,7-8H,5-6,9-11,16H2,1-2H3,(H,17,18)
InChIKeyWYUHXZGZZBBMFD-UHFFFAOYSA-N
XLogP3.81
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.81
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
4-(1H-benzimidazol-2-ylsulfanyl)-2-methylbutan-2-ol
CID 79175690
5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine
CID 64621123
3-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-1-amine
CID 61386461
2-[5-(1H-benzimidazol-2-yl)pentylsulfanyl]-1H-benzimidazole
CID 20685286
6-(1H-benzimidazol-2-ylsulfanyl)hexanoic acid
CID 46784599
3-(1H-benzimidazol-2-ylsulfanyl)propyl-trimethylazanium;bromide;hydrobromide
CID 5351691
5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide
CID 54965649

Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine?
The IUPAC name of 6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine (CID 106713292) is 6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine.
What is the SMILES notation for 6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine?
The canonical SMILES for 6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine is CC(C)(CN)CCCCSc1nc2ccccc2[nH]1.
What is the InChIKey of 6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine?
The InChIKey is WYUHXZGZZBBMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-15(2,11-16)9-5-6-10-19-14-17-12-7-3-4-8-13(12)18-14/h3-4,7-8H,5-6,9-11,16H2,1-2H3,(H,17,18).
What are the key properties of 6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine?
6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine has a molecular weight of 277.44 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylhexan-1-amine is sourced from PubChem (CID 106713292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).