6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol

C16H24N2O — CID 79750581

IUPAC6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol
SMILESCCn1c(CCCC(O)C(C)C)nc2ccccc21
InChIInChI=1S/C16H24N2O/c1-4-18-14-9-6-5-8-13(14)17-16(18)11-7-10-15(19)12(2)3/h5-6,8-9,12,15,19H,4,7,10-11H2,1-3H3
InChIKeyFMOCEYJCKJVZJV-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.40
Rot. Bonds6

About 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol

6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol (PubChem CID 79750581) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol.

Molecular Properties

Compound Name6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol
PubChem CID79750581
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol
SMILESCCn1c(CCCC(O)C(C)C)nc2ccccc21
InChIInChI=1S/C16H24N2O/c1-4-18-14-9-6-5-8-13(14)17-16(18)11-7-10-15(19)12(2)3/h5-6,8-9,12,15,19H,4,7,10-11H2,1-3H3
InChIKeyFMOCEYJCKJVZJV-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine
CID 79750125
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
2-(4-bromohexyl)-1-ethylbenzimidazole
CID 79751263
1-ethyl-2-pentylbenzimidazole
CID 3463966
4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal
CID 79750345
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol
CID 79757616
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79750506
1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine
CID 79757596
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 2945571

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol?
The IUPAC name of 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol (CID 79750581) is 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol.
What is the SMILES notation for 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol?
The canonical SMILES for 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol is CCn1c(CCCC(O)C(C)C)nc2ccccc21.
What is the InChIKey of 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol?
The InChIKey is FMOCEYJCKJVZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-18-14-9-6-5-8-13(14)17-16(18)11-7-10-15(19)12(2)3/h5-6,8-9,12,15,19H,4,7,10-11H2,1-3H3.
What are the key properties of 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol?
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol has a molecular weight of 260.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol is sourced from PubChem (CID 79750581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).