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

C27H35FN4O2 — CID 90370540

IUPAC2-[4-[4-[2-(diethylamino)ethyl]phenyl]-2-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCCN(CC)CCc1ccc(-c2cn(CC(=O)NC(C)C)c(-c3ccc(F)c(OC)c3)n2)cc1
InChIInChI=1S/C27H35FN4O2/c1-6-31(7-2)15-14-20-8-10-21(11-9-20)24-17-32(18-26(33)29-19(3)4)27(30-24)22-12-13-23(28)25(16-22)34-5/h8-13,16-17,19H,6-7,14-15,18H2,1-5H3,(H,29,33)
InChIKeyQOFGNCNEJUIRKR-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.77
Rot. Bonds11

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

2-[4-[4-[2-(diethylamino)ethyl]phenyl]-2-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 90370540) has the molecular formula C27H35FN4O2 and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-[4-[4-[2-(diethylamino)ethyl]phenyl]-2-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[4-[2-(diethylamino)ethyl]phenyl]-2-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID90370540
Molecular FormulaC27H35FN4O2
Molecular Weight466.60 g/mol
Exact Mass466.27
IUPAC Name2-[4-[4-[2-(diethylamino)ethyl]phenyl]-2-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCCN(CC)CCc1ccc(-c2cn(CC(=O)NC(C)C)c(-c3ccc(F)c(OC)c3)n2)cc1
InChIInChI=1S/C27H35FN4O2/c1-6-31(7-2)15-14-20-8-10-21(11-9-20)24-17-32(18-26(33)29-19(3)4)27(30-24)22-12-13-23(28)25(16-22)34-5/h8-13,16-17,19H,6-7,14-15,18H2,1-5H3,(H,29,33)
InChIKeyQOFGNCNEJUIRKR-UHFFFAOYSA-N
XLogP4.77
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 86580546
1-[2-(4-fluoro-3-methoxyphenyl)-4-[4-[2-(1,4-oxazepan-4-yl)ethyl]phenyl]imidazol-1-yl]-4-methylpentan-2-one
CID 159971276
1-[2-[4-[2-(4-fluoro-3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)imidazol-4-yl]phenyl]ethyl]azetidine-3-carbonitrile
CID 158540091
2-[2-(3-chlorophenyl)-4-[4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 86581751
2-[5-(4-fluoro-3-methoxyphenyl)-3-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide
CID 86581025
2-[2-(3-chlorophenyl)-4-[6-[(Z)-2-ethoxyethenyl]-3-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 90370556
N-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine
CID 14901820
2-[4-bromo-2-(2-methoxy-4-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 90370316
2-[3-(4-fluoro-3-methoxyphenyl)-1-[5-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]-2-pyridinyl]-5-oxo-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide
CID 56952501
2-[3-(4-fluoro-3-methoxyphenyl)-7-hydroxy-1-oxoisoquinolin-2-yl]-N-propan-2-ylacetamide
CID 67121478
2-[6-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-(4-fluoro-3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 25218338
2-[6-[5-[(dimethylamino)methyl]-2-fluorophenyl]-2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 174560057

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(diethylamino)ethyl]phenyl]-2-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[4-[2-(diethylamino)ethyl]phenyl]-2-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]-N-propan-2-ylacetamide (CID 90370540) is 2-[4-[4-[2-(diethylamino)ethyl]phenyl]-2-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[4-[2-(diethylamino)ethyl]phenyl]-2-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[4-[2-(diethylamino)ethyl]phenyl]-2-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]-N-propan-2-ylacetamide is CCN(CC)CCc1ccc(-c2cn(CC(=O)NC(C)C)c(-c3ccc(F)c(OC)c3)n2)cc1.
What is the InChIKey of 2-[4-[4-[2-(diethylamino)ethyl]phenyl]-2-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is QOFGNCNEJUIRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O2/c1-6-31(7-2)15-14-20-8-10-21(11-9-20)24-17-32(18-26(33)29-19(3)4)27(30-24)22-12-13-23(28)25(16-22)34-5/h8-13,16-17,19H,6-7,14-15,18H2,1-5H3,(H,29,33).
What are the key properties of 2-[4-[4-[2-(diethylamino)ethyl]phenyl]-2-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]-N-propan-2-ylacetamide?
2-[4-[4-[2-(diethylamino)ethyl]phenyl]-2-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 466.60 g/mol, XLogP of 4.77, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(diethylamino)ethyl]phenyl]-2-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 90370540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).