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

C27H33FN4O3 — CID 86580546

IUPAC2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCOc1cc(-c2nc(-c3ccc(CCN4CCOCC4)cc3)cn2CC(=O)NC(C)C)ccc1F
InChIInChI=1S/C27H33FN4O3/c1-19(2)29-26(33)18-32-17-24(30-27(32)22-8-9-23(28)25(16-22)34-3)21-6-4-20(5-7-21)10-11-31-12-14-35-15-13-31/h4-9,16-17,19H,10-15,18H2,1-3H3,(H,29,33)
InChIKeyWNYCTDAMNKAEHX-UHFFFAOYSA-N
MW480.58 g/mol
LogP3.76
Rot. Bonds9

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

2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 86580546) has the molecular formula C27H33FN4O3 and a molecular weight of 480.58 g/mol. Its IUPAC name is 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID86580546
Molecular FormulaC27H33FN4O3
Molecular Weight480.58 g/mol
Exact Mass480.25
IUPAC Name2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCOc1cc(-c2nc(-c3ccc(CCN4CCOCC4)cc3)cn2CC(=O)NC(C)C)ccc1F
InChIInChI=1S/C27H33FN4O3/c1-19(2)29-26(33)18-32-17-24(30-27(32)22-8-9-23(28)25(16-22)34-3)21-6-4-20(5-7-21)10-11-31-12-14-35-15-13-31/h4-9,16-17,19H,10-15,18H2,1-3H3,(H,29,33)
InChIKeyWNYCTDAMNKAEHX-UHFFFAOYSA-N
XLogP3.76
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.58
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide (CID 86580546) is 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide is COc1cc(-c2nc(-c3ccc(CCN4CCOCC4)cc3)cn2CC(=O)NC(C)C)ccc1F.
What is the InChIKey of 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is WNYCTDAMNKAEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O3/c1-19(2)29-26(33)18-32-17-24(30-27(32)22-8-9-23(28)25(16-22)34-3)21-6-4-20(5-7-21)10-11-31-12-14-35-15-13-31/h4-9,16-17,19H,10-15,18H2,1-3H3,(H,29,33).
What are the key properties of 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 480.58 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 86580546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).