2-[3-(oxan-3-yl)propyl]-1H-imidazole

C11H18N2O — CID 57106103

IUPAC2-[3-(oxan-3-yl)propyl]-1H-imidazole
SMILESc1c[nH]c(CCCC2CCCOC2)n1
InChIInChI=1S/C11H18N2O/c1(5-11-12-6-7-13-11)3-10-4-2-8-14-9-10/h6-7,10H,1-5,8-9H2,(H,12,13)
InChIKeySVEYAUOQBUWZGQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.16
Rot. Bonds4

About 2-[3-(oxan-3-yl)propyl]-1H-imidazole

2-[3-(oxan-3-yl)propyl]-1H-imidazole (PubChem CID 57106103) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[3-(oxan-3-yl)propyl]-1H-imidazole.

Molecular Properties

Compound Name2-[3-(oxan-3-yl)propyl]-1H-imidazole
PubChem CID57106103
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[3-(oxan-3-yl)propyl]-1H-imidazole
SMILESc1c[nH]c(CCCC2CCCOC2)n1
InChIInChI=1S/C11H18N2O/c1(5-11-12-6-7-13-11)3-10-4-2-8-14-9-10/h6-7,10H,1-5,8-9H2,(H,12,13)
InChIKeySVEYAUOQBUWZGQ-UHFFFAOYSA-N
XLogP2.16
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

12-Imidazolyl-1-dodecanol
CID 25269122
2-Cyclohexyl-1H-imidazole
CID 11159405
2-(oxan-4-yl)-1H-imidazole
CID 59198587
4-Bromo-2-(oxan-4-yl)-1H-imidazole
CID 117259156
9-(1H-Imidazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 74247280
(2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
CID 164635126
5-butylnonan-5-yl-[2-[1-(4-fluorooxan-4-yl)-2,2-dimethylpropyl]-1H-imidazol-5-yl]tin
CID 141281508
N-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine
CID 146245938
4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine
CID 45220940
3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]tridecan-2-ol
CID 91217998
2-Butyl-imidazolium di-(2-ethylhexyl) phosphate
CID 129734395
3-[2-Fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine
CID 114533144

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxan-3-yl)propyl]-1H-imidazole?
The IUPAC name of 2-[3-(oxan-3-yl)propyl]-1H-imidazole (CID 57106103) is 2-[3-(oxan-3-yl)propyl]-1H-imidazole.
What is the SMILES notation for 2-[3-(oxan-3-yl)propyl]-1H-imidazole?
The canonical SMILES for 2-[3-(oxan-3-yl)propyl]-1H-imidazole is c1c[nH]c(CCCC2CCCOC2)n1.
What is the InChIKey of 2-[3-(oxan-3-yl)propyl]-1H-imidazole?
The InChIKey is SVEYAUOQBUWZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1(5-11-12-6-7-13-11)3-10-4-2-8-14-9-10/h6-7,10H,1-5,8-9H2,(H,12,13).
What are the key properties of 2-[3-(oxan-3-yl)propyl]-1H-imidazole?
2-[3-(oxan-3-yl)propyl]-1H-imidazole has a molecular weight of 194.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxan-3-yl)propyl]-1H-imidazole is sourced from PubChem (CID 57106103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).