[(2R)-2-benzylpiperazin-1-yl]-[1-(3-morpholin-4-ylphenyl)-5-phenylimidazol-4-yl]methanone

C31H33N5O2 — CID 23585728

IUPAC[(2R)-2-benzylpiperazin-1-yl]-[1-(3-morpholin-4-ylphenyl)-5-phenylimidazol-4-yl]methanone
SMILESO=C(c1ncn(-c2cccc(N3CCOCC3)c2)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C31H33N5O2/c37-31(35-15-14-32-22-28(35)20-24-8-3-1-4-9-24)29-30(25-10-5-2-6-11-25)36(23-33-29)27-13-7-12-26(21-27)34-16-18-38-19-17-34/h1-13,21,23,28,32H,14-20,22H2/t28-/m1/s1
InChIKeyJPXBITBDNZSDKE-MUUNZHRXSA-N
MW507.64 g/mol
LogP4.03
Rot. Bonds6

About [(2R)-2-benzylpiperazin-1-yl]-[1-(3-morpholin-4-ylphenyl)-5-phenylimidazol-4-yl]methanone

[(2R)-2-benzylpiperazin-1-yl]-[1-(3-morpholin-4-ylphenyl)-5-phenylimidazol-4-yl]methanone (PubChem CID 23585728) has the molecular formula C31H33N5O2 and a molecular weight of 507.64 g/mol. Its IUPAC name is [(2R)-2-benzylpiperazin-1-yl]-[1-(3-morpholin-4-ylphenyl)-5-phenylimidazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-benzylpiperazin-1-yl]-[1-(3-morpholin-4-ylphenyl)-5-phenylimidazol-4-yl]methanone
PubChem CID23585728
Molecular FormulaC31H33N5O2
Molecular Weight507.64 g/mol
Exact Mass507.26
IUPAC Name[(2R)-2-benzylpiperazin-1-yl]-[1-(3-morpholin-4-ylphenyl)-5-phenylimidazol-4-yl]methanone
SMILESO=C(c1ncn(-c2cccc(N3CCOCC3)c2)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C31H33N5O2/c37-31(35-15-14-32-22-28(35)20-24-8-3-1-4-9-24)29-30(25-10-5-2-6-11-25)36(23-33-29)27-13-7-12-26(21-27)34-16-18-38-19-17-34/h1-13,21,23,28,32H,14-20,22H2/t28-/m1/s1
InChIKeyJPXBITBDNZSDKE-MUUNZHRXSA-N
XLogP4.03
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.64
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-benzylpiperazin-1-yl]-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-phenylimidazol-4-yl]methanone
CID 25134176
2-[(6S)-6-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-azepin-4-yl]-1-[1-(3-morpholin-4-ylphenyl)-5-phenylimidazol-4-yl]ethanone
CID 70311294
[(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone
CID 68985061
[(2R)-2-benzylpiperazin-1-yl]-[1-[(1R,2S)-2-hydroxycycloheptyl]-5-phenylimidazol-4-yl]methanone;hydrochloride
CID 68991399
[(2R)-2-benzylpiperazin-1-yl]-(5-methyl-1,2-diphenylpyrrol-3-yl)methanone
CID 59324752
[1-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-5-phenylimidazol-4-yl]-[(2R)-2-benzylpiperazin-1-yl]methanone
CID 69266967
2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one
CID 69174482
(3R)-3-benzyl-4-[2-methyl-1-(3-morpholin-4-ylphenyl)-5-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid
CID 68663890
(2-benzylpiperazin-1-yl)-[5-(3,5-difluorophenyl)-1-[(1S,2R)-2-hydroxycyclohexyl]imidazol-4-yl]methanone
CID 69174907
[(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone
CID 25265689
[(2R)-2-benzylpiperazin-1-yl]-[5-phenyl-1-[(1S,2S)-2-prop-2-enoxycyclohexyl]imidazol-4-yl]methanone
CID 68990733
[2-[4-[(2S)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexyl] N-methylcarbamate
CID 90966634

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-benzylpiperazin-1-yl]-[1-(3-morpholin-4-ylphenyl)-5-phenylimidazol-4-yl]methanone?
The IUPAC name of [(2R)-2-benzylpiperazin-1-yl]-[1-(3-morpholin-4-ylphenyl)-5-phenylimidazol-4-yl]methanone (CID 23585728) is [(2R)-2-benzylpiperazin-1-yl]-[1-(3-morpholin-4-ylphenyl)-5-phenylimidazol-4-yl]methanone.
What is the SMILES notation for [(2R)-2-benzylpiperazin-1-yl]-[1-(3-morpholin-4-ylphenyl)-5-phenylimidazol-4-yl]methanone?
The canonical SMILES for [(2R)-2-benzylpiperazin-1-yl]-[1-(3-morpholin-4-ylphenyl)-5-phenylimidazol-4-yl]methanone is O=C(c1ncn(-c2cccc(N3CCOCC3)c2)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1.
What is the InChIKey of [(2R)-2-benzylpiperazin-1-yl]-[1-(3-morpholin-4-ylphenyl)-5-phenylimidazol-4-yl]methanone?
The InChIKey is JPXBITBDNZSDKE-MUUNZHRXSA-N. The full InChI is InChI=1S/C31H33N5O2/c37-31(35-15-14-32-22-28(35)20-24-8-3-1-4-9-24)29-30(25-10-5-2-6-11-25)36(23-33-29)27-13-7-12-26(21-27)34-16-18-38-19-17-34/h1-13,21,23,28,32H,14-20,22H2/t28-/m1/s1.
What are the key properties of [(2R)-2-benzylpiperazin-1-yl]-[1-(3-morpholin-4-ylphenyl)-5-phenylimidazol-4-yl]methanone?
[(2R)-2-benzylpiperazin-1-yl]-[1-(3-morpholin-4-ylphenyl)-5-phenylimidazol-4-yl]methanone has a molecular weight of 507.64 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-benzylpiperazin-1-yl]-[1-(3-morpholin-4-ylphenyl)-5-phenylimidazol-4-yl]methanone is sourced from PubChem (CID 23585728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).