2-butyl-5-ethoxy-1H-imidazole

C9H16N2O — CID 13249244

IUPAC2-butyl-5-ethoxy-1H-imidazole
SMILESCCCCc1ncc(OCC)[nH]1
InChIInChI=1S/C9H16N2O/c1-3-5-6-8-10-7-9(11-8)12-4-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyRJUVOHQAHXAKIS-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds5

About 2-butyl-5-ethoxy-1H-imidazole

2-butyl-5-ethoxy-1H-imidazole (PubChem CID 13249244) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-butyl-5-ethoxy-1H-imidazole.

Molecular Properties

Compound Name2-butyl-5-ethoxy-1H-imidazole
PubChem CID13249244
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-butyl-5-ethoxy-1H-imidazole
SMILESCCCCc1ncc(OCC)[nH]1
InChIInChI=1S/C9H16N2O/c1-3-5-6-8-10-7-9(11-8)12-4-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyRJUVOHQAHXAKIS-UHFFFAOYSA-N
XLogP2.15
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethoxy-1H-imidazole
CID 49757967
1-(2-fluoroethyl)-4-(5-methoxy-1H-imidazol-2-yl)piperidine
CID 90295811
methyl N-fluoro-N-[4-[(2-propan-2-yl-1H-imidazol-5-yl)oxy]butan-2-yl]carbamate
CID 175619921
2-Butyl-5-hydroxy-1H-imidazole
CID 11446377
5-methoxy-2-methyl-1H-imidazole
CID 17769620
5-propoxy-1H-imidazole
CID 19600407
2-(5-ethoxy-1H-imidazol-2-yl)acetonitrile
CID 20306401
2-(5-methoxy-1H-imidazol-2-yl)acetonitrile
CID 20306421
5-octoxy-1H-imidazole
CID 20331519
2,5-bis(2-ethenoxyethoxy)-1H-imidazole
CID 22272232
5-ethoxy-2-ethyl-1H-imidazole
CID 22909640
2-(5-methoxy-1H-imidazol-2-yl)buta-2,3-dien-1-amine
CID 53939413

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-ethoxy-1H-imidazole?
The IUPAC name of 2-butyl-5-ethoxy-1H-imidazole (CID 13249244) is 2-butyl-5-ethoxy-1H-imidazole.
What is the SMILES notation for 2-butyl-5-ethoxy-1H-imidazole?
The canonical SMILES for 2-butyl-5-ethoxy-1H-imidazole is CCCCc1ncc(OCC)[nH]1.
What is the InChIKey of 2-butyl-5-ethoxy-1H-imidazole?
The InChIKey is RJUVOHQAHXAKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-5-6-8-10-7-9(11-8)12-4-2/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-butyl-5-ethoxy-1H-imidazole?
2-butyl-5-ethoxy-1H-imidazole has a molecular weight of 168.24 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-ethoxy-1H-imidazole is sourced from PubChem (CID 13249244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).