1-benzyl-2-phenylimidazole;formic acid

C19H20N2O6 — CID 158419728

IUPAC1-benzyl-2-phenylimidazole;formic acid
SMILESO=CO.O=CO.O=CO.c1ccc(Cn2ccnc2-c2ccccc2)cc1
InChIInChI=1S/C16H14N2.3CH2O2/c1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;3*2-1-3/h1-12H,13H2;3*1H,(H,2,3)
InChIKeyHAINLOWLWWTPMF-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.70
Rot. Bonds3

About 1-benzyl-2-phenylimidazole;formic acid

1-benzyl-2-phenylimidazole;formic acid (PubChem CID 158419728) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-benzyl-2-phenylimidazole;formic acid.

Molecular Properties

Compound Name1-benzyl-2-phenylimidazole;formic acid
PubChem CID158419728
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name1-benzyl-2-phenylimidazole;formic acid
SMILESO=CO.O=CO.O=CO.c1ccc(Cn2ccnc2-c2ccccc2)cc1
InChIInChI=1S/C16H14N2.3CH2O2/c1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;3*2-1-3/h1-12H,13H2;3*1H,(H,2,3)
InChIKeyHAINLOWLWWTPMF-UHFFFAOYSA-N
XLogP2.70
TPSA129.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-phenylimidazol-1-yl)methyl]pyridine
CID 67150298
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide
CID 82559363
benzene-1,2,4-tricarboxylic acid;tris(1-benzyl-2-phenylimidazole)
CID 173037307
[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine
CID 61069749
2,4,6-tris(1-benzylimidazol-2-yl)phenol
CID 136721299
formic acid;2-(2-phenylimidazol-1-yl)-N-[(4-phenylphenyl)methyl]ethanamine
CID 70682957
3-(2-phenylimidazol-1-yl)propanal
CID 63040001
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
CID 61071786
1-methyl-4-[(2-phenylimidazol-1-yl)methyl]pyrazole
CID 155917955
3-[[2-(4-chlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560578

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-phenylimidazole;formic acid?
The IUPAC name of 1-benzyl-2-phenylimidazole;formic acid (CID 158419728) is 1-benzyl-2-phenylimidazole;formic acid.
What is the SMILES notation for 1-benzyl-2-phenylimidazole;formic acid?
The canonical SMILES for 1-benzyl-2-phenylimidazole;formic acid is O=CO.O=CO.O=CO.c1ccc(Cn2ccnc2-c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-phenylimidazole;formic acid?
The InChIKey is HAINLOWLWWTPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2.3CH2O2/c1-3-7-14(8-4-1)13-18-12-11-17-16(18)15-9-5-2-6-10-15;3*2-1-3/h1-12H,13H2;3*1H,(H,2,3).
What are the key properties of 1-benzyl-2-phenylimidazole;formic acid?
1-benzyl-2-phenylimidazole;formic acid has a molecular weight of 372.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-phenylimidazole;formic acid is sourced from PubChem (CID 158419728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).