4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline

C29H34N4 — CID 139637944

IUPAC4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2ncn(-c3ccccc3)c2-c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C29H34N4/c1-5-31(6-2)25-18-14-23(15-19-25)28-29(33(22-30-28)27-12-10-9-11-13-27)24-16-20-26(21-17-24)32(7-3)8-4/h9-22H,5-8H2,1-4H3
InChIKeyZUIZBTXPWIMWCH-UHFFFAOYSA-N
MW438.62 g/mol
LogP6.90
Rot. Bonds9

About 4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline

4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline (PubChem CID 139637944) has the molecular formula C29H34N4 and a molecular weight of 438.62 g/mol. Its IUPAC name is 4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline
PubChem CID139637944
Molecular FormulaC29H34N4
Molecular Weight438.62 g/mol
Exact Mass438.28
IUPAC Name4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2ncn(-c3ccccc3)c2-c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C29H34N4/c1-5-31(6-2)25-18-14-23(15-19-25)28-29(33(22-30-28)27-12-10-9-11-13-27)24-16-20-26(21-17-24)32(7-3)8-4/h9-22H,5-8H2,1-4H3
InChIKeyZUIZBTXPWIMWCH-UHFFFAOYSA-N
XLogP6.90
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethylaniline
CID 7061
N,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline
CID 132545400
4,5-diphenyl-1-propylimidazole
CID 14950648
1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole
CID 156553212
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-diethylaniline;hydrazine
CID 161037544
3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione
CID 134977150
N,N-diethyl-4-quinazolin-2-ylaniline
CID 22356712
4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline
CID 12555114
1,4,5,6-tetraphenylpyrrolo[3,4-d]pyridazine
CID 141114308
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
CID 161146216
CID 161146216

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline?
The IUPAC name of 4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline (CID 139637944) is 4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline.
What is the SMILES notation for 4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline?
The canonical SMILES for 4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline is CCN(CC)c1ccc(-c2ncn(-c3ccccc3)c2-c2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of 4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline?
The InChIKey is ZUIZBTXPWIMWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4/c1-5-31(6-2)25-18-14-23(15-19-25)28-29(33(22-30-28)27-12-10-9-11-13-27)24-16-20-26(21-17-24)32(7-3)8-4/h9-22H,5-8H2,1-4H3.
What are the key properties of 4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline?
4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline has a molecular weight of 438.62 g/mol, XLogP of 6.90, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline is sourced from PubChem (CID 139637944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).