N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide

C27H32N4O3 — CID 69150146

IUPACN-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C2CCC(n3ccn(-c4ccc(Oc5ccccc5)cc4)c3=O)CC2)C1
InChIInChI=1S/C27H32N4O3/c1-20(32)28-21-15-16-29(19-21)22-7-9-23(10-8-22)30-17-18-31(27(30)33)24-11-13-26(14-12-24)34-25-5-3-2-4-6-25/h2-6,11-14,17-18,21-23H,7-10,15-16,19H2,1H3,(H,28,32)
InChIKeyHFDVJGVVUPADDM-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.13
Rot. Bonds6

About N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide

N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide (PubChem CID 69150146) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide
PubChem CID69150146
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC NameN-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C2CCC(n3ccn(-c4ccc(Oc5ccccc5)cc4)c3=O)CC2)C1
InChIInChI=1S/C27H32N4O3/c1-20(32)28-21-15-16-29(19-21)22-7-9-23(10-8-22)30-17-18-31(27(30)33)24-11-13-26(14-12-24)34-25-5-3-2-4-6-25/h2-6,11-14,17-18,21-23H,7-10,15-16,19H2,1H3,(H,28,32)
InChIKeyHFDVJGVVUPADDM-UHFFFAOYSA-N
XLogP4.13
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide
CID 58906651
1-[4-[3-(dimethylamino)propyl-methylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one
CID 24829930
1-[4-[2-(diethylamino)ethylamino]cyclohexyl]-3-(4-phenoxyphenyl)imidazol-2-one
CID 24829765
tert-butyl N-methyl-N-[2-[[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]amino]ethyl]carbamate
CID 58906613
1-(4-cyclopentyloxyphenyl)-3-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]imidazol-2-one
CID 58906663
N-[(3R)-1-[4-[3-(4-butoxyphenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide
CID 163677047
ethane;(4-methylphenyl) acetate;2-[4-[(3R)-3-methylpyrrolidin-1-yl]cyclohexyl]pyridine;N-[(3R)-1-(4-pyridin-2-ylcyclohexyl)pyrrolidin-3-yl]acetamide
CID 91051294
N-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide
CID 30897505
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide
CID 138534083
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylpropanamide
CID 62487733
N-(1-cyclopropylpyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 51100168

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide (CID 69150146) is N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C2CCC(n3ccn(-c4ccc(Oc5ccccc5)cc4)c3=O)CC2)C1.
What is the InChIKey of N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide?
The InChIKey is HFDVJGVVUPADDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-20(32)28-21-15-16-29(19-21)22-7-9-23(10-8-22)30-17-18-31(27(30)33)24-11-13-26(14-12-24)34-25-5-3-2-4-6-25/h2-6,11-14,17-18,21-23H,7-10,15-16,19H2,1H3,(H,28,32).
What are the key properties of N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide?
N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide has a molecular weight of 460.58 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-oxo-3-(4-phenoxyphenyl)imidazol-1-yl]cyclohexyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 69150146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).