N-[2-[4-[1-[4-(4-fluorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]ethyl]-N-methylpyridin-4-amine

C33H33FN4O2 — CID 59698915

IUPACN-[2-[4-[1-[4-(4-fluorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]ethyl]-N-methylpyridin-4-amine
SMILESCC(C)Cc1nc(-c2ccc(OCCN(C)c3ccncc3)cc2)cn1-c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C33H33FN4O2/c1-24(2)22-33-36-32(23-38(33)28-8-14-31(15-9-28)40-30-12-6-26(34)7-13-30)25-4-10-29(11-5-25)39-21-20-37(3)27-16-18-35-19-17-27/h4-19,23-24H,20-22H2,1-3H3
InChIKeyMKFMSZVEJKELOE-UHFFFAOYSA-N
MW536.65 g/mol
LogP7.58
Rot. Bonds11

About N-[2-[4-[1-[4-(4-fluorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]ethyl]-N-methylpyridin-4-amine

N-[2-[4-[1-[4-(4-fluorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]ethyl]-N-methylpyridin-4-amine (PubChem CID 59698915) has the molecular formula C33H33FN4O2 and a molecular weight of 536.65 g/mol. Its IUPAC name is N-[2-[4-[1-[4-(4-fluorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]ethyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[2-[4-[1-[4-(4-fluorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]ethyl]-N-methylpyridin-4-amine
PubChem CID59698915
Molecular FormulaC33H33FN4O2
Molecular Weight536.65 g/mol
Exact Mass536.26
IUPAC NameN-[2-[4-[1-[4-(4-fluorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]ethyl]-N-methylpyridin-4-amine
SMILESCC(C)Cc1nc(-c2ccc(OCCN(C)c3ccncc3)cc2)cn1-c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C33H33FN4O2/c1-24(2)22-33-36-32(23-38(33)28-8-14-31(15-9-28)40-30-12-6-26(34)7-13-30)25-4-10-29(11-5-25)39-21-20-37(3)27-16-18-35-19-17-27/h4-19,23-24H,20-22H2,1-3H3
InChIKeyMKFMSZVEJKELOE-UHFFFAOYSA-N
XLogP7.58
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.65
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
2-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]-N-ethyl-N-methylpyridin-4-amine
CID 67425178
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
3-[4-[4-[4-(3,3-diphenylpropoxy)phenyl]-2-(2-methylpropyl)imidazol-1-yl]phenoxy]-N,N,2,2-tetramethylpropan-1-amine
CID 59301104
3-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(ethoxymethyl)imidazol-4-yl]phenoxy]-N,N-dimethylpropan-1-amine
CID 126704652
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-butyl-1-[4-(3,4-dichlorophenoxy)phenyl]imidazol-4-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 59699013
lithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate
CID 162309650
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-[1-[4-(4-chlorophenoxy)phenyl]-2-(ethoxymethyl)imidazol-4-yl]phenoxy]-N-ethylpropan-1-amine
CID 126704771

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-[4-(4-fluorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]ethyl]-N-methylpyridin-4-amine?
The IUPAC name of N-[2-[4-[1-[4-(4-fluorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]ethyl]-N-methylpyridin-4-amine (CID 59698915) is N-[2-[4-[1-[4-(4-fluorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]ethyl]-N-methylpyridin-4-amine.
What is the SMILES notation for N-[2-[4-[1-[4-(4-fluorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]ethyl]-N-methylpyridin-4-amine?
The canonical SMILES for N-[2-[4-[1-[4-(4-fluorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]ethyl]-N-methylpyridin-4-amine is CC(C)Cc1nc(-c2ccc(OCCN(C)c3ccncc3)cc2)cn1-c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-[4-[1-[4-(4-fluorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]ethyl]-N-methylpyridin-4-amine?
The InChIKey is MKFMSZVEJKELOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33FN4O2/c1-24(2)22-33-36-32(23-38(33)28-8-14-31(15-9-28)40-30-12-6-26(34)7-13-30)25-4-10-29(11-5-25)39-21-20-37(3)27-16-18-35-19-17-27/h4-19,23-24H,20-22H2,1-3H3.
What are the key properties of N-[2-[4-[1-[4-(4-fluorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]ethyl]-N-methylpyridin-4-amine?
N-[2-[4-[1-[4-(4-fluorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]ethyl]-N-methylpyridin-4-amine has a molecular weight of 536.65 g/mol, XLogP of 7.58, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-[4-(4-fluorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]ethyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 59698915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).