2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol

C17H19N3O — CID 105111618

IUPAC2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
SMILESCCn1c(CC(O)c2cncc(C)c2)nc2ccccc21
InChIInChI=1S/C17H19N3O/c1-3-20-15-7-5-4-6-14(15)19-17(20)9-16(21)13-8-12(2)10-18-11-13/h4-8,10-11,16,21H,3,9H2,1-2H3
InChIKeyHQIGHZCHVVSCLK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.04
Rot. Bonds4

About 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol

2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol (PubChem CID 105111618) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
PubChem CID105111618
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
SMILESCCn1c(CC(O)c2cncc(C)c2)nc2ccccc21
InChIInChI=1S/C17H19N3O/c1-3-20-15-7-5-4-6-14(15)19-17(20)9-16(21)13-8-12(2)10-18-11-13/h4-8,10-11,16,21H,3,9H2,1-2H3
InChIKeyHQIGHZCHVVSCLK-UHFFFAOYSA-N
XLogP3.04
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(5-chloro-1,3-thiazol-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanol
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CID 103027615

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol (CID 105111618) is 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol is CCn1c(CC(O)c2cncc(C)c2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol?
The InChIKey is HQIGHZCHVVSCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-20-15-7-5-4-6-14(15)19-17(20)9-16(21)13-8-12(2)10-18-11-13/h4-8,10-11,16,21H,3,9H2,1-2H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol?
2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol has a molecular weight of 281.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 105111618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).