formic acid;2-(2-phenylimidazol-1-yl)-N-[(4-phenylphenyl)methyl]ethanamine

C25H25N3O2 — CID 70682957

IUPACformic acid;2-(2-phenylimidazol-1-yl)-N-[(4-phenylphenyl)methyl]ethanamine
SMILESO=CO.c1ccc(-c2ccc(CNCCn3ccnc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H23N3.CH2O2/c1-3-7-21(8-4-1)22-13-11-20(12-14-22)19-25-15-17-27-18-16-26-24(27)23-9-5-2-6-10-23;2-1-3/h1-14,16,18,25H,15,17,19H2;1H,(H,2,3)
InChIKeyGASAFJOICKKPMT-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.71
Rot. Bonds7

About formic acid;2-(2-phenylimidazol-1-yl)-N-[(4-phenylphenyl)methyl]ethanamine

formic acid;2-(2-phenylimidazol-1-yl)-N-[(4-phenylphenyl)methyl]ethanamine (PubChem CID 70682957) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is formic acid;2-(2-phenylimidazol-1-yl)-N-[(4-phenylphenyl)methyl]ethanamine.

Molecular Properties

Compound Nameformic acid;2-(2-phenylimidazol-1-yl)-N-[(4-phenylphenyl)methyl]ethanamine
PubChem CID70682957
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Nameformic acid;2-(2-phenylimidazol-1-yl)-N-[(4-phenylphenyl)methyl]ethanamine
SMILESO=CO.c1ccc(-c2ccc(CNCCn3ccnc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H23N3.CH2O2/c1-3-7-21(8-4-1)22-13-11-20(12-14-22)19-25-15-17-27-18-16-26-24(27)23-9-5-2-6-10-23;2-1-3/h1-14,16,18,25H,15,17,19H2;1H,(H,2,3)
InChIKeyGASAFJOICKKPMT-UHFFFAOYSA-N
XLogP4.71
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-2-phenylimidazole;formic acid
CID 158419728
3-(2-phenylimidazol-1-yl)propanal
CID 63040001
N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 62564926
3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine
CID 55088135
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
4-[[2-(2-methylimidazol-1-yl)ethylamino]methyl]phenol
CID 114331892
4-(2-phenylimidazol-1-yl)butanoic acid
CID 15307825
2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline
CID 62565112
2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine
CID 55088185
N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975815
methyl 4-(2-phenylimidazol-1-yl)butanoate
CID 11149223
N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine
CID 82558989

Frequently Asked Questions

What is the IUPAC name of formic acid;2-(2-phenylimidazol-1-yl)-N-[(4-phenylphenyl)methyl]ethanamine?
The IUPAC name of formic acid;2-(2-phenylimidazol-1-yl)-N-[(4-phenylphenyl)methyl]ethanamine (CID 70682957) is formic acid;2-(2-phenylimidazol-1-yl)-N-[(4-phenylphenyl)methyl]ethanamine.
What is the SMILES notation for formic acid;2-(2-phenylimidazol-1-yl)-N-[(4-phenylphenyl)methyl]ethanamine?
The canonical SMILES for formic acid;2-(2-phenylimidazol-1-yl)-N-[(4-phenylphenyl)methyl]ethanamine is O=CO.c1ccc(-c2ccc(CNCCn3ccnc3-c3ccccc3)cc2)cc1.
What is the InChIKey of formic acid;2-(2-phenylimidazol-1-yl)-N-[(4-phenylphenyl)methyl]ethanamine?
The InChIKey is GASAFJOICKKPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3.CH2O2/c1-3-7-21(8-4-1)22-13-11-20(12-14-22)19-25-15-17-27-18-16-26-24(27)23-9-5-2-6-10-23;2-1-3/h1-14,16,18,25H,15,17,19H2;1H,(H,2,3).
What are the key properties of formic acid;2-(2-phenylimidazol-1-yl)-N-[(4-phenylphenyl)methyl]ethanamine?
formic acid;2-(2-phenylimidazol-1-yl)-N-[(4-phenylphenyl)methyl]ethanamine has a molecular weight of 399.49 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-(2-phenylimidazol-1-yl)-N-[(4-phenylphenyl)methyl]ethanamine is sourced from PubChem (CID 70682957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).