N-[1-[4-(2-phenyl-4H-imidazol-5-yl)phenyl]pentyl]-4-[1-(propylamino)ethenyl]aniline

C31H36N4 — CID 166932519

IUPACN-[1-[4-(2-phenyl-4H-imidazol-5-yl)phenyl]pentyl]-4-[1-(propylamino)ethenyl]aniline
SMILESC=C(NCCC)c1ccc(NC(CCCC)c2ccc(C3=NC(c4ccccc4)=NC3)cc2)cc1
InChIInChI=1S/C31H36N4/c1-4-6-12-29(34-28-19-17-24(18-20-28)23(3)32-21-5-2)25-13-15-26(16-14-25)30-22-33-31(35-30)27-10-8-7-9-11-27/h7-11,13-20,29,32,34H,3-6,12,21-22H2,1-2H3
InChIKeyROFANBALNXRASZ-UHFFFAOYSA-N
MW464.66 g/mol
LogP7.25
Rot. Bonds12

About N-[1-[4-(2-phenyl-4H-imidazol-5-yl)phenyl]pentyl]-4-[1-(propylamino)ethenyl]aniline

N-[1-[4-(2-phenyl-4H-imidazol-5-yl)phenyl]pentyl]-4-[1-(propylamino)ethenyl]aniline (PubChem CID 166932519) has the molecular formula C31H36N4 and a molecular weight of 464.66 g/mol. Its IUPAC name is N-[1-[4-(2-phenyl-4H-imidazol-5-yl)phenyl]pentyl]-4-[1-(propylamino)ethenyl]aniline.

Molecular Properties

Compound NameN-[1-[4-(2-phenyl-4H-imidazol-5-yl)phenyl]pentyl]-4-[1-(propylamino)ethenyl]aniline
PubChem CID166932519
Molecular FormulaC31H36N4
Molecular Weight464.66 g/mol
Exact Mass464.29
IUPAC NameN-[1-[4-(2-phenyl-4H-imidazol-5-yl)phenyl]pentyl]-4-[1-(propylamino)ethenyl]aniline
SMILESC=C(NCCC)c1ccc(NC(CCCC)c2ccc(C3=NC(c4ccccc4)=NC3)cc2)cc1
InChIInChI=1S/C31H36N4/c1-4-6-12-29(34-28-19-17-24(18-20-28)23(3)32-21-5-2)25-13-15-26(16-14-25)30-22-33-31(35-30)27-10-8-7-9-11-27/h7-11,13-20,29,32,34H,3-6,12,21-22H2,1-2H3
InChIKeyROFANBALNXRASZ-UHFFFAOYSA-N
XLogP7.25
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.66
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-phenylphenyl)ethenyl]propan-1-amine
CID 143032131
3-[[4-[1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pentylamino]benzoyl]amino]propanoic acid
CID 146250309
4-[1-(3-methylbut-3-enylamino)ethenyl]-N-[2-methyl-1-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]propyl]aniline
CID 166932594
2-[[4-[1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pentylamino]benzoyl]amino]ethanesulfonic acid
CID 146236840
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
4-bromo-N-(1-phenylpentyl)aniline
CID 43762744
(2S)-2-[[4-[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]pentylamino]benzoyl]amino]propanoic acid
CID 172847930
N-[1-(4-methoxyphenyl)pentyl]aniline
CID 102396772
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
3-[[4-[[(1R)-1-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pentyl]amino]benzoyl]amino]propanoic acid
CID 146236819
4-methyl-N-[1-[4-[5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]pentyl]aniline
CID 166932592
1-ethoxy-3-[[hydroxy-[4-[1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pentylamino]phenyl]methyl]amino]propan-1-ol
CID 166932477

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-phenyl-4H-imidazol-5-yl)phenyl]pentyl]-4-[1-(propylamino)ethenyl]aniline?
The IUPAC name of N-[1-[4-(2-phenyl-4H-imidazol-5-yl)phenyl]pentyl]-4-[1-(propylamino)ethenyl]aniline (CID 166932519) is N-[1-[4-(2-phenyl-4H-imidazol-5-yl)phenyl]pentyl]-4-[1-(propylamino)ethenyl]aniline.
What is the SMILES notation for N-[1-[4-(2-phenyl-4H-imidazol-5-yl)phenyl]pentyl]-4-[1-(propylamino)ethenyl]aniline?
The canonical SMILES for N-[1-[4-(2-phenyl-4H-imidazol-5-yl)phenyl]pentyl]-4-[1-(propylamino)ethenyl]aniline is C=C(NCCC)c1ccc(NC(CCCC)c2ccc(C3=NC(c4ccccc4)=NC3)cc2)cc1.
What is the InChIKey of N-[1-[4-(2-phenyl-4H-imidazol-5-yl)phenyl]pentyl]-4-[1-(propylamino)ethenyl]aniline?
The InChIKey is ROFANBALNXRASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4/c1-4-6-12-29(34-28-19-17-24(18-20-28)23(3)32-21-5-2)25-13-15-26(16-14-25)30-22-33-31(35-30)27-10-8-7-9-11-27/h7-11,13-20,29,32,34H,3-6,12,21-22H2,1-2H3.
What are the key properties of N-[1-[4-(2-phenyl-4H-imidazol-5-yl)phenyl]pentyl]-4-[1-(propylamino)ethenyl]aniline?
N-[1-[4-(2-phenyl-4H-imidazol-5-yl)phenyl]pentyl]-4-[1-(propylamino)ethenyl]aniline has a molecular weight of 464.66 g/mol, XLogP of 7.25, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-phenyl-4H-imidazol-5-yl)phenyl]pentyl]-4-[1-(propylamino)ethenyl]aniline is sourced from PubChem (CID 166932519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).