3-[4-[4-[4-(3,3-diphenylpropoxy)phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N,2,2-tetramethylpropan-1-amine

C41H49N3O2 — CID 59301104

IUPAC3-[4-[4-[4-(3,3-diphenylpropoxy)phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N,2,2-tetramethylpropan-1-amine
SMILESCC(C)Cc1nc(-c2ccc(OCCC(c3ccccc3)c3ccccc3)cc2)cn1-c1ccc(OCC(C)(C)CN(C)C)cc1
InChIInChI=1S/C41H49N3O2/c1-31(2)27-40-42-39(28-44(40)35-19-23-37(24-20-35)46-30-41(3,4)29-43(5)6)34-17-21-36(22-18-34)45-26-25-38(32-13-9-7-10-14-32)33-15-11-8-12-16-33/h7-24,28,31,38H,25-27,29-30H2,1-6H3
InChIKeyCIGSAUIKBUVZPY-UHFFFAOYSA-N
MW615.86 g/mol
LogP9.31
Rot. Bonds15

About 3-[4-[4-[4-(3,3-diphenylpropoxy)phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N,2,2-tetramethylpropan-1-amine

3-[4-[4-[4-(3,3-diphenylpropoxy)phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N,2,2-tetramethylpropan-1-amine (PubChem CID 59301104) has the molecular formula C41H49N3O2 and a molecular weight of 615.86 g/mol. Its IUPAC name is 3-[4-[4-[4-(3,3-diphenylpropoxy)phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N,2,2-tetramethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[4-[4-(3,3-diphenylpropoxy)phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N,2,2-tetramethylpropan-1-amine
PubChem CID59301104
Molecular FormulaC41H49N3O2
Molecular Weight615.86 g/mol
Exact Mass615.38
IUPAC Name3-[4-[4-[4-(3,3-diphenylpropoxy)phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N,2,2-tetramethylpropan-1-amine
SMILESCC(C)Cc1nc(-c2ccc(OCCC(c3ccccc3)c3ccccc3)cc2)cn1-c1ccc(OCC(C)(C)CN(C)C)cc1
InChIInChI=1S/C41H49N3O2/c1-31(2)27-40-42-39(28-44(40)35-19-23-37(24-20-35)46-30-41(3,4)29-43(5)6)34-17-21-36(22-18-34)45-26-25-38(32-13-9-7-10-14-32)33-15-11-8-12-16-33/h7-24,28,31,38H,25-27,29-30H2,1-6H3
InChIKeyCIGSAUIKBUVZPY-UHFFFAOYSA-N
XLogP9.31
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.86
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[4-[4-[3,3-bis(4-fluorophenyl)propoxy]phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 59699126
2-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 59699017
N,N-diethyl-3-[4-[1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]propan-1-amine
CID 59699221
N-[2-[4-[1-[4-(4-fluorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]ethyl]-N-methylpyridin-4-amine
CID 59698915
3-[4-[4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(3-phenoxypropyl)imidazol-1-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 59699311
2-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]-N-ethyl-N-methylpyridin-4-amine
CID 67425178
3-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(ethoxymethyl)imidazol-4-yl]phenoxy]-N,N-dimethylpropan-1-amine
CID 126704652
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
3-[4-[2-butyl-4-[4-(4-chlorophenoxy)phenyl]imidazol-1-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 59699189
3-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(ethoxymethyl)imidazol-4-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 126704820
3-[4-[2-but-3-enyl-1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 59698909
3-[4-[4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(methoxymethyl)imidazol-1-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 59699123

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-(3,3-diphenylpropoxy)phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N,2,2-tetramethylpropan-1-amine?
The IUPAC name of 3-[4-[4-[4-(3,3-diphenylpropoxy)phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N,2,2-tetramethylpropan-1-amine (CID 59301104) is 3-[4-[4-[4-(3,3-diphenylpropoxy)phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N,2,2-tetramethylpropan-1-amine.
What is the SMILES notation for 3-[4-[4-[4-(3,3-diphenylpropoxy)phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N,2,2-tetramethylpropan-1-amine?
The canonical SMILES for 3-[4-[4-[4-(3,3-diphenylpropoxy)phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N,2,2-tetramethylpropan-1-amine is CC(C)Cc1nc(-c2ccc(OCCC(c3ccccc3)c3ccccc3)cc2)cn1-c1ccc(OCC(C)(C)CN(C)C)cc1.
What is the InChIKey of 3-[4-[4-[4-(3,3-diphenylpropoxy)phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N,2,2-tetramethylpropan-1-amine?
The InChIKey is CIGSAUIKBUVZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49N3O2/c1-31(2)27-40-42-39(28-44(40)35-19-23-37(24-20-35)46-30-41(3,4)29-43(5)6)34-17-21-36(22-18-34)45-26-25-38(32-13-9-7-10-14-32)33-15-11-8-12-16-33/h7-24,28,31,38H,25-27,29-30H2,1-6H3.
What are the key properties of 3-[4-[4-[4-(3,3-diphenylpropoxy)phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N,2,2-tetramethylpropan-1-amine?
3-[4-[4-[4-(3,3-diphenylpropoxy)phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N,2,2-tetramethylpropan-1-amine has a molecular weight of 615.86 g/mol, XLogP of 9.31, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[4-(3,3-diphenylpropoxy)phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N,2,2-tetramethylpropan-1-amine is sourced from PubChem (CID 59301104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).