5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol

C16H24N2OS — CID 103089740

IUPAC5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
SMILESCCCn1c(CC(O)CCCSC)nc2ccccc21
InChIInChI=1S/C16H24N2OS/c1-3-10-18-15-9-5-4-8-14(15)17-16(18)12-13(19)7-6-11-20-2/h4-5,8-9,13,19H,3,6-7,10-12H2,1-2H3
InChIKeySADXLEZZUZAIJH-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.49
Rot. Bonds8

About 5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol

5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol (PubChem CID 103089740) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
PubChem CID103089740
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
SMILESCCCn1c(CC(O)CCCSC)nc2ccccc21
InChIInChI=1S/C16H24N2OS/c1-3-10-18-15-9-5-4-8-14(15)17-16(18)12-13(19)7-6-11-20-2/h4-5,8-9,13,19H,3,6-7,10-12H2,1-2H3
InChIKeySADXLEZZUZAIJH-UHFFFAOYSA-N
XLogP3.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79754270
1-tert-butylsulfanyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79756075
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547
1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79757629
1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 103170121
1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
CID 79756659
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818146
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol
CID 79757616
1-(1-ethylbenzimidazol-2-yl)-4-methoxybutan-2-ol
CID 79754353
1-butyl-2-(2-methylpropyl)benzimidazole
CID 4004972
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol?
The IUPAC name of 5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol (CID 103089740) is 5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol.
What is the SMILES notation for 5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol?
The canonical SMILES for 5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol is CCCn1c(CC(O)CCCSC)nc2ccccc21.
What is the InChIKey of 5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol?
The InChIKey is SADXLEZZUZAIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-10-18-15-9-5-4-8-14(15)17-16(18)12-13(19)7-6-11-20-2/h4-5,8-9,13,19H,3,6-7,10-12H2,1-2H3.
What are the key properties of 5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol?
5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol has a molecular weight of 292.45 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol is sourced from PubChem (CID 103089740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).