N-[2-[(2R)-1-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazin-2-yl]ethyl]-N-phenylcyclopropanecarboxamide

C34H43N5O4 — CID 68987286

IUPACN-[2-[(2R)-1-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazin-2-yl]ethyl]-N-phenylcyclopropanecarboxamide
SMILESCOC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCN(C(=O)C2CC2)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C34H43N5O4/c1-43-23-34(42)18-9-8-14-29(34)39-24-36-30(31(39)25-10-4-2-5-11-25)33(41)38-21-19-35-22-28(38)17-20-37(32(40)26-15-16-26)27-12-6-3-7-13-27/h2-7,10-13,24,26,28-29,35,42H,8-9,14-23H2,1H3/t28-,29-,34-/m1/s1
InChIKeyCMCNQOXNVZVMKX-PFXPGVKDSA-N
MW585.75 g/mol
LogP4.29
Rot. Bonds10

About N-[2-[(2R)-1-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazin-2-yl]ethyl]-N-phenylcyclopropanecarboxamide

N-[2-[(2R)-1-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazin-2-yl]ethyl]-N-phenylcyclopropanecarboxamide (PubChem CID 68987286) has the molecular formula C34H43N5O4 and a molecular weight of 585.75 g/mol. Its IUPAC name is N-[2-[(2R)-1-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazin-2-yl]ethyl]-N-phenylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazin-2-yl]ethyl]-N-phenylcyclopropanecarboxamide
PubChem CID68987286
Molecular FormulaC34H43N5O4
Molecular Weight585.75 g/mol
Exact Mass585.33
IUPAC NameN-[2-[(2R)-1-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazin-2-yl]ethyl]-N-phenylcyclopropanecarboxamide
SMILESCOC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCN(C(=O)C2CC2)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C34H43N5O4/c1-43-23-34(42)18-9-8-14-29(34)39-24-36-30(31(39)25-10-4-2-5-11-25)33(41)38-21-19-35-22-28(38)17-20-37(32(40)26-15-16-26)27-12-6-3-7-13-27/h2-7,10-13,24,26,28-29,35,42H,8-9,14-23H2,1H3/t28-,29-,34-/m1/s1
InChIKeyCMCNQOXNVZVMKX-PFXPGVKDSA-N
XLogP4.29
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.75
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[(2R)-1-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazin-2-yl]ethyl]-N-phenylcyclopropanecarboxamide with MolForge

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Related Compounds

(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-imidazol-1-yl-1-oxopropan-2-yl]-N'-methyl-N'-(2-pyridin-2-ylethyl)butanediamide
CID 10009841
[(2R)-2-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[1-[(1S,2R)-2-hydroxycyclohexyl]-5-phenylimidazol-4-yl]methanone
CID 57743574
tert-Butyl (3R)-3-benzyl-4-({1-[2-hydroxy-2-(trifluoromethyl)cyclohexyl]-5-phenyl-1H-imidazol-4-yl}carbonyl)piperazine-1-carboxylate
CID 57743577
tert-butyl (3R)-3-benzyl-4-[5-(3-fluorophenyl)-1-[(3R,4S)-1-oxaspiro[2.5]octan-4-yl]imidazole-4-carbonyl]piperazine-1-carboxylate
CID 57743622
[(2R)-2-[2-(5-fluoro-2-methylanilino)ethyl]piperazin-1-yl]-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazol-4-yl]methanone
CID 57743644
tert-butyl (3R)-4-({1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenyl-1H-imidazol-4-yl}carbonyl)-3-{(2S)-2-hydroxy-2-[6-(trifluoromethyl)pyridin-2-yl]ethyl}piperazine-1-carboxylate
CID 57743657
[(2R)-2-benzylpiperazin-1-yl]-[5-(3-fluorophenyl)-1-[(1S,2R)-2-hydroxy-2-(methoxymethyl)cyclohexyl]imidazol-4-yl]methanone
CID 57743680
tert-butyl (3R)-3-[2-(2-fluoro-4-pyrazol-1-ylanilino)ethyl]-4-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylate
CID 57743712
tert-butyl (3R)-3-benzyl-4-[5-(3-fluorophenyl)-1-[(1S,2R)-2-hydroxy-2-(methoxymethyl)cyclohexyl]imidazole-4-carbonyl]piperazine-1-carboxylate
CID 57743790
tert-Butyl (3R)-3-benzyl-4-({5-(3-fluorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1H-imidazol-4-yl}carbonyl)piperazine-1-carboxylate
CID 57743879
tert-butyl (3R)-4-({1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenyl-1H-imidazol-4-yl}carbonyl)-3-{(2R)-2-hydroxy-2-[6-(trifluoromethyl)pyridin-2-yl]ethyl}piperazine-1-carboxylate
CID 57743897
[(2R)-2-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazol-4-yl]methanone
CID 57744027

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazin-2-yl]ethyl]-N-phenylcyclopropanecarboxamide?
The IUPAC name of N-[2-[(2R)-1-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazin-2-yl]ethyl]-N-phenylcyclopropanecarboxamide (CID 68987286) is N-[2-[(2R)-1-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazin-2-yl]ethyl]-N-phenylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2R)-1-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazin-2-yl]ethyl]-N-phenylcyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2R)-1-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazin-2-yl]ethyl]-N-phenylcyclopropanecarboxamide is COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCN(C(=O)C2CC2)c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-[2-[(2R)-1-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazin-2-yl]ethyl]-N-phenylcyclopropanecarboxamide?
The InChIKey is CMCNQOXNVZVMKX-PFXPGVKDSA-N. The full InChI is InChI=1S/C34H43N5O4/c1-43-23-34(42)18-9-8-14-29(34)39-24-36-30(31(39)25-10-4-2-5-11-25)33(41)38-21-19-35-22-28(38)17-20-37(32(40)26-15-16-26)27-12-6-3-7-13-27/h2-7,10-13,24,26,28-29,35,42H,8-9,14-23H2,1H3/t28-,29-,34-/m1/s1.
What are the key properties of N-[2-[(2R)-1-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazin-2-yl]ethyl]-N-phenylcyclopropanecarboxamide?
N-[2-[(2R)-1-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazin-2-yl]ethyl]-N-phenylcyclopropanecarboxamide has a molecular weight of 585.75 g/mol, XLogP of 4.29, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-[1-[(1R,2S)-2-hydroxy-2-(methoxymethyl)cyclohexyl]-5-phenylimidazole-4-carbonyl]piperazin-2-yl]ethyl]-N-phenylcyclopropanecarboxamide is sourced from PubChem (CID 68987286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).