3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol

C15H22N2O2 — CID 82334838

IUPAC3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
SMILESCCOc1ccc2c(c1)nc(CCCO)n2C(C)C
InChIInChI=1S/C15H22N2O2/c1-4-19-12-7-8-14-13(10-12)16-15(6-5-9-18)17(14)11(2)3/h7-8,10-11,18H,4-6,9H2,1-3H3
InChIKeyIXGHGATVKURSCX-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.94
Rot. Bonds6

About 3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol

3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol (PubChem CID 82334838) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
PubChem CID82334838
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
SMILESCCOc1ccc2c(c1)nc(CCCO)n2C(C)C
InChIInChI=1S/C15H22N2O2/c1-4-19-12-7-8-14-13(10-12)16-15(6-5-9-18)17(14)11(2)3/h7-8,10-11,18H,4-6,9H2,1-3H3
InChIKeyIXGHGATVKURSCX-UHFFFAOYSA-N
XLogP2.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
CID 82334654
3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 82334841
3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol
CID 82334844
4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one
CID 82334847
5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine
CID 82847019
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 83868113
N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82334457
3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82334661
2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole
CID 82335377
3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919824
3-[1-[(2R)-butan-2-yl]-5-nitrobenzimidazol-2-yl]propan-1-ol
CID 40609232
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol
CID 82333770

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol (CID 82334838) is 3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol is CCOc1ccc2c(c1)nc(CCCO)n2C(C)C.
What is the InChIKey of 3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol?
The InChIKey is IXGHGATVKURSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-19-12-7-8-14-13(10-12)16-15(6-5-9-18)17(14)11(2)3/h7-8,10-11,18H,4-6,9H2,1-3H3.
What are the key properties of 3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol?
3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol has a molecular weight of 262.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 82334838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).