4-[1-(4-amino-3-phenylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-phenylaniline

C29H26N4 — CID 146643118

IUPAC4-[1-(4-amino-3-phenylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-phenylaniline
SMILESNc1ccc(C(Cc2cnc[nH]2)c2ccc(N)c(-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C29H26N4/c30-28-13-11-22(15-26(28)20-7-3-1-4-8-20)25(17-24-18-32-19-33-24)23-12-14-29(31)27(16-23)21-9-5-2-6-10-21/h1-16,18-19,25H,17,30-31H2,(H,32,33)
InChIKeyYCQLBDOHKKUWIG-UHFFFAOYSA-N
MW430.56 g/mol
LogP6.28
Rot. Bonds6

About 4-[1-(4-amino-3-phenylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-phenylaniline

4-[1-(4-amino-3-phenylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-phenylaniline (PubChem CID 146643118) has the molecular formula C29H26N4 and a molecular weight of 430.56 g/mol. Its IUPAC name is 4-[1-(4-amino-3-phenylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-phenylaniline.

Molecular Properties

Compound Name4-[1-(4-amino-3-phenylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-phenylaniline
PubChem CID146643118
Molecular FormulaC29H26N4
Molecular Weight430.56 g/mol
Exact Mass430.22
IUPAC Name4-[1-(4-amino-3-phenylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-phenylaniline
SMILESNc1ccc(C(Cc2cnc[nH]2)c2ccc(N)c(-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C29H26N4/c30-28-13-11-22(15-26(28)20-7-3-1-4-8-20)25(17-24-18-32-19-33-24)23-12-14-29(31)27(16-23)21-9-5-2-6-10-21/h1-16,18-19,25H,17,30-31H2,(H,32,33)
InChIKeyYCQLBDOHKKUWIG-UHFFFAOYSA-N
XLogP6.28
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.56
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(2,3-diphenylpropyl)-1H-imidazole
CID 10491736
N-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)methanamine
CID 42778544
2-[[5-(3-fluoro-4-phenylphenyl)-2-methyl-4-oxohexanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 158750431
(2R)-2-[[(3S)-3-amino-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 23642271
3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one
CID 70890206
(2R)-2-(benzylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 22798985
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 103869448
N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine
CID 10353167
(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol
CID 153098059
(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
CID 63714042
4-phenyl-2-(4-phenylphenyl)aniline
CID 153492708
ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 142606147

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-amino-3-phenylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-phenylaniline?
The IUPAC name of 4-[1-(4-amino-3-phenylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-phenylaniline (CID 146643118) is 4-[1-(4-amino-3-phenylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-phenylaniline.
What is the SMILES notation for 4-[1-(4-amino-3-phenylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-phenylaniline?
The canonical SMILES for 4-[1-(4-amino-3-phenylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-phenylaniline is Nc1ccc(C(Cc2cnc[nH]2)c2ccc(N)c(-c3ccccc3)c2)cc1-c1ccccc1.
What is the InChIKey of 4-[1-(4-amino-3-phenylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-phenylaniline?
The InChIKey is YCQLBDOHKKUWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4/c30-28-13-11-22(15-26(28)20-7-3-1-4-8-20)25(17-24-18-32-19-33-24)23-12-14-29(31)27(16-23)21-9-5-2-6-10-21/h1-16,18-19,25H,17,30-31H2,(H,32,33).
What are the key properties of 4-[1-(4-amino-3-phenylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-phenylaniline?
4-[1-(4-amino-3-phenylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-phenylaniline has a molecular weight of 430.56 g/mol, XLogP of 6.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-amino-3-phenylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-phenylaniline is sourced from PubChem (CID 146643118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).