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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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).