2-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one

C24H28N4O2 — CID 46957975

IUPAC2-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one
SMILESCOc1ccc(C(c2ccccc2)N2CCN(C(=O)C(C)n3ccnc3)CC2)cc1
InChIInChI=1S/C24H28N4O2/c1-19(28-13-12-25-18-28)24(29)27-16-14-26(15-17-27)23(20-6-4-3-5-7-20)21-8-10-22(30-2)11-9-21/h3-13,18-19,23H,14-17H2,1-2H3
InChIKeyXDNJWNOFZUCUIB-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.39
Rot. Bonds6

About 2-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one

2-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one (PubChem CID 46957975) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one
PubChem CID46957975
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one
SMILESCOc1ccc(C(c2ccccc2)N2CCN(C(=O)C(C)n3ccnc3)CC2)cc1
InChIInChI=1S/C24H28N4O2/c1-19(28-13-12-25-18-28)24(29)27-16-14-26(15-17-27)23(20-6-4-3-5-7-20)21-8-10-22(30-2)11-9-21/h3-13,18-19,23H,14-17H2,1-2H3
InChIKeyXDNJWNOFZUCUIB-UHFFFAOYSA-N
XLogP3.39
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 46972601
2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517552
2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
CID 121079781
(2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 94068052
1-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopentan-2-yl]-3-(4-methoxyphenyl)urea
CID 42698495
(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone
CID 19430232
(4-benzhydrylpiperazin-1-yl)-[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 42759077
(4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 25097957
(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4273485
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 29262916
(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-1-[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 92564932
4-benzhydryl-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 10161278

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one (CID 46957975) is 2-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one is COc1ccc(C(c2ccccc2)N2CCN(C(=O)C(C)n3ccnc3)CC2)cc1.
What is the InChIKey of 2-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one?
The InChIKey is XDNJWNOFZUCUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-19(28-13-12-25-18-28)24(29)27-16-14-26(15-17-27)23(20-6-4-3-5-7-20)21-8-10-22(30-2)11-9-21/h3-13,18-19,23H,14-17H2,1-2H3.
What are the key properties of 2-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one?
2-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one has a molecular weight of 404.51 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 46957975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).