ethane;2-(1-ethylbenzimidazol-2-yl)ethanol

C13H20N2O — CID 142101886

IUPACethane;2-(1-ethylbenzimidazol-2-yl)ethanol
SMILESCC.CCn1c(CCO)nc2ccccc21
InChIInChI=1S/C11H14N2O.C2H6/c1-2-13-10-6-4-3-5-9(10)12-11(13)7-8-14;1-2/h3-6,14H,2,7-8H2,1H3;1-2H3
InChIKeyLOBAVBGNGZAZHX-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.62
Rot. Bonds3

About ethane;2-(1-ethylbenzimidazol-2-yl)ethanol

ethane;2-(1-ethylbenzimidazol-2-yl)ethanol (PubChem CID 142101886) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is ethane;2-(1-ethylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Nameethane;2-(1-ethylbenzimidazol-2-yl)ethanol
PubChem CID142101886
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Nameethane;2-(1-ethylbenzimidazol-2-yl)ethanol
SMILESCC.CCn1c(CCO)nc2ccccc21
InChIInChI=1S/C11H14N2O.C2H6/c1-2-13-10-6-4-3-5-9(10)12-11(13)7-8-14;1-2/h3-6,14H,2,7-8H2,1H3;1-2H3
InChIKeyLOBAVBGNGZAZHX-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-pentylbenzimidazole
CID 3463966
2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 17027842
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol
CID 79750581
(1-ethylbenzimidazol-2-yl)methylazanium chloride
CID 139581059
CID 59065201
CID 59065201
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol
CID 115400992
4-[(1-ethylbenzimidazol-2-yl)methyl]phenol
CID 43142753
3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 78998124

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-ethylbenzimidazol-2-yl)ethanol?
The IUPAC name of ethane;2-(1-ethylbenzimidazol-2-yl)ethanol (CID 142101886) is ethane;2-(1-ethylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for ethane;2-(1-ethylbenzimidazol-2-yl)ethanol?
The canonical SMILES for ethane;2-(1-ethylbenzimidazol-2-yl)ethanol is CC.CCn1c(CCO)nc2ccccc21.
What is the InChIKey of ethane;2-(1-ethylbenzimidazol-2-yl)ethanol?
The InChIKey is LOBAVBGNGZAZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.C2H6/c1-2-13-10-6-4-3-5-9(10)12-11(13)7-8-14;1-2/h3-6,14H,2,7-8H2,1H3;1-2H3.
What are the key properties of ethane;2-(1-ethylbenzimidazol-2-yl)ethanol?
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol has a molecular weight of 220.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-ethylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 142101886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).