[(1-benzylimidazol-2-yl)-phenylmethyl] ethanimidate

C19H19N3O — CID 20614413

IUPAC[(1-benzylimidazol-2-yl)-phenylmethyl] ethanimidate
SMILES[H]/N=C(\C)OC(c1ccccc1)c1nccn1Cc1ccccc1
InChIInChI=1S/C19H19N3O/c1-15(20)23-18(17-10-6-3-7-11-17)19-21-12-13-22(19)14-16-8-4-2-5-9-16/h2-13,18,20H,14H2,1H3/b20-15+
InChIKeyPAPAPULMKHKISL-HMMYKYKNSA-N
MW305.38 g/mol
LogP4.03
Rot. Bonds5

About [(1-benzylimidazol-2-yl)-phenylmethyl] ethanimidate

[(1-benzylimidazol-2-yl)-phenylmethyl] ethanimidate (PubChem CID 20614413) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is [(1-benzylimidazol-2-yl)-phenylmethyl] ethanimidate.

Molecular Properties

Compound Name[(1-benzylimidazol-2-yl)-phenylmethyl] ethanimidate
PubChem CID20614413
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name[(1-benzylimidazol-2-yl)-phenylmethyl] ethanimidate
SMILES[H]/N=C(\C)OC(c1ccccc1)c1nccn1Cc1ccccc1
InChIInChI=1S/C19H19N3O/c1-15(20)23-18(17-10-6-3-7-11-17)19-21-12-13-22(19)14-16-8-4-2-5-9-16/h2-13,18,20H,14H2,1H3/b20-15+
InChIKeyPAPAPULMKHKISL-HMMYKYKNSA-N
XLogP4.03
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol
CID 97307465
1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole
CID 101370154
4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol
CID 56999955
1-(1-benzylimidazol-2-yl)-2-(4-methylphenyl)ethanol
CID 15581101
(S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol
CID 40899908
[(1-methylimidazol-2-yl)-phenylmethyl] acetate
CID 20614420
1-[1-[(4-phenylphenyl)methyl]imidazol-2-yl]ethanol
CID 142479637
1-benzyl-2-methylimidazole
CID 158634472
(S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol
CID 699896
1-benzyl-2-chloroimidazole
CID 11629752
3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine
CID 91445896
1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 63976496

Frequently Asked Questions

What is the IUPAC name of [(1-benzylimidazol-2-yl)-phenylmethyl] ethanimidate?
The IUPAC name of [(1-benzylimidazol-2-yl)-phenylmethyl] ethanimidate (CID 20614413) is [(1-benzylimidazol-2-yl)-phenylmethyl] ethanimidate.
What is the SMILES notation for [(1-benzylimidazol-2-yl)-phenylmethyl] ethanimidate?
The canonical SMILES for [(1-benzylimidazol-2-yl)-phenylmethyl] ethanimidate is [H]/N=C(\C)OC(c1ccccc1)c1nccn1Cc1ccccc1.
What is the InChIKey of [(1-benzylimidazol-2-yl)-phenylmethyl] ethanimidate?
The InChIKey is PAPAPULMKHKISL-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H19N3O/c1-15(20)23-18(17-10-6-3-7-11-17)19-21-12-13-22(19)14-16-8-4-2-5-9-16/h2-13,18,20H,14H2,1H3/b20-15+.
What are the key properties of [(1-benzylimidazol-2-yl)-phenylmethyl] ethanimidate?
[(1-benzylimidazol-2-yl)-phenylmethyl] ethanimidate has a molecular weight of 305.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-benzylimidazol-2-yl)-phenylmethyl] ethanimidate is sourced from PubChem (CID 20614413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).