2-[2-(3-chloro-4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide

C26H30ClFN4O2 — CID 86580871

IUPAC2-[2-(3-chloro-4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(-c2ccc(CCN3CCOCC3)cc2)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C26H30ClFN4O2/c1-18(2)29-25(33)17-32-16-24(30-26(32)21-7-8-23(28)22(27)15-21)20-5-3-19(4-6-20)9-10-31-11-13-34-14-12-31/h3-8,15-16,18H,9-14,17H2,1-2H3,(H,29,33)
InChIKeyUTYIKEPPISRDDB-UHFFFAOYSA-N
MW485.00 g/mol
LogP4.41
Rot. Bonds8

About 2-[2-(3-chloro-4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide

2-[2-(3-chloro-4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 86580871) has the molecular formula C26H30ClFN4O2 and a molecular weight of 485.00 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-chloro-4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID86580871
Molecular FormulaC26H30ClFN4O2
Molecular Weight485.00 g/mol
Exact Mass484.20
IUPAC Name2-[2-(3-chloro-4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(-c2ccc(CCN3CCOCC3)cc2)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C26H30ClFN4O2/c1-18(2)29-25(33)17-32-16-24(30-26(32)21-7-8-23(28)22(27)15-21)20-5-3-19(4-6-20)9-10-31-11-13-34-14-12-31/h3-8,15-16,18H,9-14,17H2,1-2H3,(H,29,33)
InChIKeyUTYIKEPPISRDDB-UHFFFAOYSA-N
XLogP4.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.00
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-chloro-4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide (CID 86580871) is 2-[2-(3-chloro-4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-chloro-4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-chloro-4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cc(-c2ccc(CCN3CCOCC3)cc2)nc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[2-(3-chloro-4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is UTYIKEPPISRDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClFN4O2/c1-18(2)29-25(33)17-32-16-24(30-26(32)21-7-8-23(28)22(27)15-21)20-5-3-19(4-6-20)9-10-31-11-13-34-14-12-31/h3-8,15-16,18H,9-14,17H2,1-2H3,(H,29,33).
What are the key properties of 2-[2-(3-chloro-4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
2-[2-(3-chloro-4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 485.00 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 86580871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).