2-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)imidazole

C13H20N2O — CID 141174959

IUPAC2-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)imidazole
SMILESc1cn(CC2CCOCC2)c(CC2CC2)n1
InChIInChI=1S/C13H20N2O/c1-2-11(1)9-13-14-5-6-15(13)10-12-3-7-16-8-4-12/h5-6,11-12H,1-4,7-10H2
InChIKeyHPNFMKLDROLQJY-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.26
Rot. Bonds4

About 2-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)imidazole

2-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)imidazole (PubChem CID 141174959) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)imidazole.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)imidazole
PubChem CID141174959
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)imidazole
SMILESc1cn(CC2CCOCC2)c(CC2CC2)n1
InChIInChI=1S/C13H20N2O/c1-2-11(1)9-13-14-5-6-15(13)10-12-3-7-16-8-4-12/h5-6,11-12H,1-4,7-10H2
InChIKeyHPNFMKLDROLQJY-UHFFFAOYSA-N
XLogP2.26
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)imidazole?
The IUPAC name of 2-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)imidazole (CID 141174959) is 2-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)imidazole.
What is the SMILES notation for 2-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)imidazole?
The canonical SMILES for 2-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)imidazole is c1cn(CC2CCOCC2)c(CC2CC2)n1.
What is the InChIKey of 2-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)imidazole?
The InChIKey is HPNFMKLDROLQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-11(1)9-13-14-5-6-15(13)10-12-3-7-16-8-4-12/h5-6,11-12H,1-4,7-10H2.
What are the key properties of 2-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)imidazole?
2-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)imidazole has a molecular weight of 220.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)imidazole is sourced from PubChem (CID 141174959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).