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

C21H26N6O — CID 46972601

IUPAC2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCN(C(c2ccccc2)c2nccn2C)CC1)n1ccnc1
InChIInChI=1S/C21H26N6O/c1-17(27-11-8-22-16-27)21(28)26-14-12-25(13-15-26)19(18-6-4-3-5-7-18)20-23-9-10-24(20)2/h3-11,16-17,19H,12-15H2,1-2H3
InChIKeyOUESIAONEQHECM-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.11
Rot. Bonds5

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

2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one (PubChem CID 46972601) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
PubChem CID46972601
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCN(C(c2ccccc2)c2nccn2C)CC1)n1ccnc1
InChIInChI=1S/C21H26N6O/c1-17(27-11-8-22-16-27)21(28)26-14-12-25(13-15-26)19(18-6-4-3-5-7-18)20-23-9-10-24(20)2/h3-11,16-17,19H,12-15H2,1-2H3
InChIKeyOUESIAONEQHECM-UHFFFAOYSA-N
XLogP2.11
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

2-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 46957975
(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
(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 92589472
1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine
CID 12063609
(2R)-2-(2-fluorophenoxy)-1-[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 92551289
2-(2-fluorophenoxy)-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 46957886
(2S)-2-(3-fluorophenoxy)-1-[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 92551286
[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 92579221
2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517552
1-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-3-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 124816048
2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
CID 121079781
(5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone
CID 46972171

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one (CID 46972601) is 2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one is CC(C(=O)N1CCN(C(c2ccccc2)c2nccn2C)CC1)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one?
The InChIKey is OUESIAONEQHECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-17(27-11-8-22-16-27)21(28)26-14-12-25(13-15-26)19(18-6-4-3-5-7-18)20-23-9-10-24(20)2/h3-11,16-17,19H,12-15H2,1-2H3.
What are the key properties of 2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one?
2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one has a molecular weight of 378.48 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 46972601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).