[(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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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).