3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline

C22H19N3 — CID 6482257

IUPAC3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline
SMILESc1ccc(-c2ccc(CNc3cccc(-c4cnc[nH]4)c3)cc2)cc1
InChIInChI=1S/C22H19N3/c1-2-5-18(6-3-1)19-11-9-17(10-12-19)14-24-21-8-4-7-20(13-21)22-15-23-16-25-22/h1-13,15-16,24H,14H2,(H,23,25)
InChIKeyMMEFELOIMGMTFW-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.36
Rot. Bonds5

About 3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline

3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline (PubChem CID 6482257) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline
PubChem CID6482257
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline
SMILESc1ccc(-c2ccc(CNc3cccc(-c4cnc[nH]4)c3)cc2)cc1
InChIInChI=1S/C22H19N3/c1-2-5-18(6-3-1)19-11-9-17(10-12-19)14-24-21-8-4-7-20(13-21)22-15-23-16-25-22/h1-13,15-16,24H,14H2,(H,23,25)
InChIKeyMMEFELOIMGMTFW-UHFFFAOYSA-N
XLogP5.36
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-(1H-imidazol-5-yl)pyridin-2-amine
CID 20561064
1-chloro-3-[3-(1H-imidazol-5-yl)anilino]propan-2-ol
CID 168637573
N-[(4-phenylphenyl)methyl]aniline
CID 10658964
N-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline
CID 43722402
4-(1H-imidazol-5-yl)-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 43722371
4-[[4-(1H-imidazol-5-yl)anilino]methyl]benzonitrile
CID 43722436
1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide
CID 110668658
4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43722426
N-[(3-bromo-4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline
CID 83232606
N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide
CID 110668596
2-[3-(1H-imidazol-5-yl)phenyl]acetic acid
CID 105454152
2-[[4-(1H-imidazol-5-yl)anilino]methyl]aniline
CID 66387858

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline?
The IUPAC name of 3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline (CID 6482257) is 3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline?
The canonical SMILES for 3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline is c1ccc(-c2ccc(CNc3cccc(-c4cnc[nH]4)c3)cc2)cc1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline?
The InChIKey is MMEFELOIMGMTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-2-5-18(6-3-1)19-11-9-17(10-12-19)14-24-21-8-4-7-20(13-21)22-15-23-16-25-22/h1-13,15-16,24H,14H2,(H,23,25).
What are the key properties of 3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline?
3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline has a molecular weight of 325.42 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline is sourced from PubChem (CID 6482257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).