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

C28H33ClN4O2 — CID 86581751

IUPAC2-[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
SMILESCC(C)NC(=O)Cn1cc(-c2ccc(CCN3C4CCC3COC4)cc2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C28H33ClN4O2/c1-19(2)30-27(34)16-32-15-26(31-28(32)22-4-3-5-23(29)14-22)21-8-6-20(7-9-21)12-13-33-24-10-11-25(33)18-35-17-24/h3-9,14-15,19,24-25H,10-13,16-18H2,1-2H3,(H,30,34)
InChIKeyGRIXBIOBMJCGGO-UHFFFAOYSA-N
MW493.05 g/mol
LogP4.80
Rot. Bonds8

About 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

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 (PubChem CID 86581751) has the molecular formula C28H33ClN4O2 and a molecular weight of 493.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID86581751
Molecular FormulaC28H33ClN4O2
Molecular Weight493.05 g/mol
Exact Mass492.23
IUPAC Name2-[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
SMILESCC(C)NC(=O)Cn1cc(-c2ccc(CCN3C4CCC3COC4)cc2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C28H33ClN4O2/c1-19(2)30-27(34)16-32-15-26(31-28(32)22-4-3-5-23(29)14-22)21-8-6-20(7-9-21)12-13-33-24-10-11-25(33)18-35-17-24/h3-9,14-15,19,24-25H,10-13,16-18H2,1-2H3,(H,30,34)
InChIKeyGRIXBIOBMJCGGO-UHFFFAOYSA-N
XLogP4.80
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.05
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

1-[2-(3-methoxyphenyl)-4-[4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenyl]imidazol-1-yl]-4-methylpentan-2-one
CID 158557400
2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 86580546
2-[2-(3-chlorophenyl)-4-[6-[(Z)-2-ethoxyethenyl]-3-pyridinyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 90370556
2-[3-[4-[2-(3,5-dimethylmorpholin-4-yl)ethyl]phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide
CID 71555507
1-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-4-methylpentan-2-one
CID 162068479
2-[5-(3-chlorophenyl)-2-[4-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]phenyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 90370597
4-(3-chlorophenyl)-5-(4-methyl-2-oxopentyl)-2-[4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenyl]-1,2,4-triazol-3-one
CID 147097389
2-[4-(3-chlorophenyl)-2-[4-(2-hydroxyethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide
CID 90370344
2-[4-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-2,5-dioxopyrrol-3-yl]-N-propan-2-ylacetamide
CID 71555436
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-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole
CID 163216978
2-[3-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-5-oxo-1,2,4-triazol-4-yl]-N-cyclobutylacetamide
CID 56952399

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)NC(=O)Cn1cc(-c2ccc(CCN3C4CCC3COC4)cc2)nc1-c1cccc(Cl)c1.
What is the InChIKey of 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?
The InChIKey is GRIXBIOBMJCGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN4O2/c1-19(2)30-27(34)16-32-15-26(31-28(32)22-4-3-5-23(29)14-22)21-8-6-20(7-9-21)12-13-33-24-10-11-25(33)18-35-17-24/h3-9,14-15,19,24-25H,10-13,16-18H2,1-2H3,(H,30,34).
What are the key properties of 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?
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 has a molecular weight of 493.05 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 86581751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).