(1-ethylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate

C19H24N2O2 — CID 155325730

IUPAC(1-ethylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
SMILESCCC1(COC(=O)c2cncn2[C@H](C)c2ccccc2)CCC1
InChIInChI=1S/C19H24N2O2/c1-3-19(10-7-11-19)13-23-18(22)17-12-20-14-21(17)15(2)16-8-5-4-6-9-16/h4-6,8-9,12,14-15H,3,7,10-11,13H2,1-2H3/t15-/m1/s1
InChIKeyDAPCVABHKMDUAE-OAHLLOKOSA-N
MW312.41 g/mol
LogP4.23
Rot. Bonds6

About (1-ethylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate

(1-ethylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate (PubChem CID 155325730) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (1-ethylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Name(1-ethylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
PubChem CID155325730
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(1-ethylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
SMILESCCC1(COC(=O)c2cncn2[C@H](C)c2ccccc2)CCC1
InChIInChI=1S/C19H24N2O2/c1-3-19(10-7-11-19)13-23-18(22)17-12-20-14-21(17)15(2)16-8-5-4-6-9-16/h4-6,8-9,12,14-15H,3,7,10-11,13H2,1-2H3/t15-/m1/s1
InChIKeyDAPCVABHKMDUAE-OAHLLOKOSA-N
XLogP4.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-hydroxycyclobutyl)methyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 155373640
(1-acetylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 118246216
[1-(methoxymethyl)cyclopropyl]methyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 174880490
[1-(methylsulfanylmethyl)cyclopropyl]methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 155325814
(3-methyloxetan-3-yl)methyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 155373628
[3-(difluoromethyl)oxetan-3-yl]methyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 155373636
(2-methyl-3-oxopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 129313659
(3-methoxycarbonyloxetan-3-yl)methyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 78140425
methoxycarbonyloxymethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 154601739
(1-ethynylcyclobutyl) 3-(1-phenylethyl)imidazole-4-carboxylate
CID 155373516
(1-acetylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-acetylcyclobutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-acetylcyclohexyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-acetylcyclopentyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(1-acetylcyclopentyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-acetyloxetan-3-yl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(3-acetyloxetan-3-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 161175093
(3-oxo-2-phenylbutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 118246219

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The IUPAC name of (1-ethylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate (CID 155325730) is (1-ethylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate.
What is the SMILES notation for (1-ethylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The canonical SMILES for (1-ethylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate is CCC1(COC(=O)c2cncn2[C@H](C)c2ccccc2)CCC1.
What is the InChIKey of (1-ethylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The InChIKey is DAPCVABHKMDUAE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-19(10-7-11-19)13-23-18(22)17-12-20-14-21(17)15(2)16-8-5-4-6-9-16/h4-6,8-9,12,14-15H,3,7,10-11,13H2,1-2H3/t15-/m1/s1.
What are the key properties of (1-ethylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
(1-ethylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate is sourced from PubChem (CID 155325730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).