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

C33H33ClN4O2 — CID 67425178

IUPAC2-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]-N-ethyl-N-methylpyridin-4-amine
SMILESCCN(C)c1ccnc(Oc2ccc(-c3cn(-c4ccc(Oc5ccc(Cl)cc5)cc4)c(CC(C)C)n3)cc2)c1
InChIInChI=1S/C33H33ClN4O2/c1-5-37(4)27-18-19-35-33(21-27)40-30-12-6-24(7-13-30)31-22-38(32(36-31)20-23(2)3)26-10-16-29(17-11-26)39-28-14-8-25(34)9-15-28/h6-19,21-23H,5,20H2,1-4H3
InChIKeyKUNQIUSMARIVOS-UHFFFAOYSA-N
MW553.11 g/mol
LogP8.83
Rot. Bonds10

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

2-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]-N-ethyl-N-methylpyridin-4-amine (PubChem CID 67425178) has the molecular formula C33H33ClN4O2 and a molecular weight of 553.11 g/mol. Its IUPAC name is 2-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]-N-ethyl-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]-N-ethyl-N-methylpyridin-4-amine
PubChem CID67425178
Molecular FormulaC33H33ClN4O2
Molecular Weight553.11 g/mol
Exact Mass552.23
IUPAC Name2-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]-N-ethyl-N-methylpyridin-4-amine
SMILESCCN(C)c1ccnc(Oc2ccc(-c3cn(-c4ccc(Oc5ccc(Cl)cc5)cc4)c(CC(C)C)n3)cc2)c1
InChIInChI=1S/C33H33ClN4O2/c1-5-37(4)27-18-19-35-33(21-27)40-30-12-6-24(7-13-30)31-22-38(32(36-31)20-23(2)3)26-10-16-29(17-11-26)39-28-14-8-25(34)9-15-28/h6-19,21-23H,5,20H2,1-4H3
InChIKeyKUNQIUSMARIVOS-UHFFFAOYSA-N
XLogP8.83
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.11
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]-N-ethyl-N-methylpyridin-4-amine?
The IUPAC name of 2-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]-N-ethyl-N-methylpyridin-4-amine (CID 67425178) is 2-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]-N-ethyl-N-methylpyridin-4-amine.
What is the SMILES notation for 2-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]-N-ethyl-N-methylpyridin-4-amine?
The canonical SMILES for 2-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]-N-ethyl-N-methylpyridin-4-amine is CCN(C)c1ccnc(Oc2ccc(-c3cn(-c4ccc(Oc5ccc(Cl)cc5)cc4)c(CC(C)C)n3)cc2)c1.
What is the InChIKey of 2-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]-N-ethyl-N-methylpyridin-4-amine?
The InChIKey is KUNQIUSMARIVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33ClN4O2/c1-5-37(4)27-18-19-35-33(21-27)40-30-12-6-24(7-13-30)31-22-38(32(36-31)20-23(2)3)26-10-16-29(17-11-26)39-28-14-8-25(34)9-15-28/h6-19,21-23H,5,20H2,1-4H3.
What are the key properties of 2-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]-N-ethyl-N-methylpyridin-4-amine?
2-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]-N-ethyl-N-methylpyridin-4-amine has a molecular weight of 553.11 g/mol, XLogP of 8.83, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(2-methylpropyl)imidazol-4-yl]phenoxy]-N-ethyl-N-methylpyridin-4-amine is sourced from PubChem (CID 67425178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).