N-[(1-benzylimidazol-2-yl)methyl]-3-ethylmorpholine-4-carboxamide

C18H24N4O2 — CID 71867713

IUPACN-[(1-benzylimidazol-2-yl)methyl]-3-ethylmorpholine-4-carboxamide
SMILESCCC1COCCN1C(=O)NCc1nccn1Cc1ccccc1
InChIInChI=1S/C18H24N4O2/c1-2-16-14-24-11-10-22(16)18(23)20-12-17-19-8-9-21(17)13-15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,20,23)
InChIKeyKROPOWNUCVCRFA-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.25
Rot. Bonds5

About N-[(1-benzylimidazol-2-yl)methyl]-3-ethylmorpholine-4-carboxamide

N-[(1-benzylimidazol-2-yl)methyl]-3-ethylmorpholine-4-carboxamide (PubChem CID 71867713) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-3-ethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-3-ethylmorpholine-4-carboxamide
PubChem CID71867713
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-3-ethylmorpholine-4-carboxamide
SMILESCCC1COCCN1C(=O)NCc1nccn1Cc1ccccc1
InChIInChI=1S/C18H24N4O2/c1-2-16-14-24-11-10-22(16)18(23)20-12-17-19-8-9-21(17)13-15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,20,23)
InChIKeyKROPOWNUCVCRFA-UHFFFAOYSA-N
XLogP2.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1H-imidazol-1-yl)carbonyl]-4-(diphenylmethyl)piperazine
CID 70148936
N-[3-(1H-imidazol-1-yl)propyl]-N'-(1-phenylethyl)ethanediamide
CID 2861400
ethyl 4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidine-1-carboxylate
CID 9843334
propyl 4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidine-1-carboxylate
CID 10179322
ethyl 4-phenyl-4-(1-(1-phenylethyl)-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 11246669
1-(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1-yl)-2-methoxyethanone
CID 11280721
2-methoxy-1-(4-phenyl-4-(1-(1-phenylethyl)-1H-imidazol-2-yl)piperidin-1-yl)ethanone
CID 11373068
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide
CID 24790314
4-(1-benzyl-1H-imidazol-2-yl)-N-ethyl-4-phenylpiperidine-1-carboxamide
CID 44406109
butyl 4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidine-1-carboxylate
CID 44432597
N-(2-imidazol-1-yl-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 164609437
N-(3-Imidazol-1-yl-propyl)-N'-(4-methyl-benzyl)-oxalamide
CID 3118074

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-3-ethylmorpholine-4-carboxamide?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-3-ethylmorpholine-4-carboxamide (CID 71867713) is N-[(1-benzylimidazol-2-yl)methyl]-3-ethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-3-ethylmorpholine-4-carboxamide?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-3-ethylmorpholine-4-carboxamide is CCC1COCCN1C(=O)NCc1nccn1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-3-ethylmorpholine-4-carboxamide?
The InChIKey is KROPOWNUCVCRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-16-14-24-11-10-22(16)18(23)20-12-17-19-8-9-21(17)13-15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,20,23).
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-3-ethylmorpholine-4-carboxamide?
N-[(1-benzylimidazol-2-yl)methyl]-3-ethylmorpholine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-3-ethylmorpholine-4-carboxamide is sourced from PubChem (CID 71867713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).