1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one

C33H41N5O6 — CID 59292726

IUPAC1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
SMILESO=C(COc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(C3CCCC[C@H]3O)c2=O)c1)N1CCOCC1
InChIInChI=1S/C33H41N5O6/c39-28-12-5-4-11-27(28)38-30(25-8-2-1-3-9-25)31(32(41)36-15-13-34-14-16-36)37(33(38)42)22-24-7-6-10-26(21-24)44-23-29(40)35-17-19-43-20-18-35/h1-3,6-10,21,27-28,34,39H,4-5,11-20,22-23H2/t27?,28-/m1/s1
InChIKeyIDUDFPCQRTYXIH-PLYLYKGUSA-N
MW603.72 g/mol
LogP2.12
Rot. Bonds8

About 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one

1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one (PubChem CID 59292726) has the molecular formula C33H41N5O6 and a molecular weight of 603.72 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one.

Molecular Properties

Compound Name1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
PubChem CID59292726
Molecular FormulaC33H41N5O6
Molecular Weight603.72 g/mol
Exact Mass603.31
IUPAC Name1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
SMILESO=C(COc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(C3CCCC[C@H]3O)c2=O)c1)N1CCOCC1
InChIInChI=1S/C33H41N5O6/c39-28-12-5-4-11-27(28)38-30(25-8-2-1-3-9-25)31(32(41)36-15-13-34-14-16-36)37(33(38)42)22-24-7-6-10-26(21-24)44-23-29(40)35-17-19-43-20-18-35/h1-3,6-10,21,27-28,34,39H,4-5,11-20,22-23H2/t27?,28-/m1/s1
InChIKeyIDUDFPCQRTYXIH-PLYLYKGUSA-N
XLogP2.12
TPSA118.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.72
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 59292773
1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-phenoxyethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 59292573
1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 59292750
N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide
CID 59292614
1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one
CID 59292634
N-methyl-2-[3-[[3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]methyl]phenoxy]acetamide
CID 59292438
4-[3-[[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]methyl]phenoxy]-3-methylbutanamide
CID 66829551
1-[[2,6-bis(6-methoxy-3-pyridinyl)-4-pyridinyl]methyl]-3-cyclohexyl-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one
CID 59292723
1-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one
CID 59292507
1-cyclohexyl-3-[(3,4-difluorophenyl)methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one;propanamide
CID 143725255
1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 143725207
benzene;5-methyl-1-(3-morpholin-4-ylphenyl)-4-(piperazine-1-carbonyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]imidazol-2-one
CID 143725198

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one?
The IUPAC name of 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one (CID 59292726) is 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one.
What is the SMILES notation for 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one?
The canonical SMILES for 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one is O=C(COc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(C3CCCC[C@H]3O)c2=O)c1)N1CCOCC1.
What is the InChIKey of 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one?
The InChIKey is IDUDFPCQRTYXIH-PLYLYKGUSA-N. The full InChI is InChI=1S/C33H41N5O6/c39-28-12-5-4-11-27(28)38-30(25-8-2-1-3-9-25)31(32(41)36-15-13-34-14-16-36)37(33(38)42)22-24-7-6-10-26(21-24)44-23-29(40)35-17-19-43-20-18-35/h1-3,6-10,21,27-28,34,39H,4-5,11-20,22-23H2/t27?,28-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one?
1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one has a molecular weight of 603.72 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxycyclohexyl]-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one is sourced from PubChem (CID 59292726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).