1-(1-butylbenzimidazol-2-yl)ethanol

C13H18N2O — CID 2874844

IUPAC1-(1-butylbenzimidazol-2-yl)ethanol
SMILESCCCCn1c(C(C)O)nc2ccccc21
InChIInChI=1S/C13H18N2O/c1-3-4-9-15-12-8-6-5-7-11(12)14-13(15)10(2)16/h5-8,10,16H,3-4,9H2,1-2H3
InChIKeyRBPXNOGQNHZOLH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.89
Rot. Bonds4

About 1-(1-butylbenzimidazol-2-yl)ethanol

1-(1-butylbenzimidazol-2-yl)ethanol (PubChem CID 2874844) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(1-butylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-butylbenzimidazol-2-yl)ethanol
PubChem CID2874844
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(1-butylbenzimidazol-2-yl)ethanol
SMILESCCCCn1c(C(C)O)nc2ccccc21
InChIInChI=1S/C13H18N2O/c1-3-4-9-15-12-8-6-5-7-11(12)14-13(15)10(2)16/h5-8,10,16H,3-4,9H2,1-2H3
InChIKeyRBPXNOGQNHZOLH-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butylbenzimidazol-2-yl)ethanol?
The IUPAC name of 1-(1-butylbenzimidazol-2-yl)ethanol (CID 2874844) is 1-(1-butylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(1-butylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(1-butylbenzimidazol-2-yl)ethanol is CCCCn1c(C(C)O)nc2ccccc21.
What is the InChIKey of 1-(1-butylbenzimidazol-2-yl)ethanol?
The InChIKey is RBPXNOGQNHZOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-4-9-15-12-8-6-5-7-11(12)14-13(15)10(2)16/h5-8,10,16H,3-4,9H2,1-2H3.
What are the key properties of 1-(1-butylbenzimidazol-2-yl)ethanol?
1-(1-butylbenzimidazol-2-yl)ethanol has a molecular weight of 218.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 2874844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).