6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one

C25H32N4O — CID 155796150

IUPAC6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one
SMILESCCC(=O)CCCN1CCN(CC)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1
InChIInChI=1S/C25H32N4O/c1-3-22(30)10-7-13-28-14-15-29(4-2)24(18-28)25-26-17-23(27-25)21-12-11-19-8-5-6-9-20(19)16-21/h5-6,8-9,11-12,16-17,24H,3-4,7,10,13-15,18H2,1-2H3,(H,26,27)
InChIKeyYEBMMCSLFQKILT-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.67
Rot. Bonds8

About 6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one

6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one (PubChem CID 155796150) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one.

Molecular Properties

Compound Name6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one
PubChem CID155796150
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one
SMILESCCC(=O)CCCN1CCN(CC)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1
InChIInChI=1S/C25H32N4O/c1-3-22(30)10-7-13-28-14-15-29(4-2)24(18-28)25-26-17-23(27-25)21-12-11-19-8-5-6-9-20(19)16-21/h5-6,8-9,11-12,16-17,24H,3-4,7,10,13-15,18H2,1-2H3,(H,26,27)
InChIKeyYEBMMCSLFQKILT-UHFFFAOYSA-N
XLogP4.67
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-1-yl]hexan-3-one
CID 155796366
6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one
CID 135151448
6-[4-benzyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-ol
CID 135151596
1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine
CID 135151624
1-[4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-(5-hydroxy-1H-indol-3-yl)ethanone
CID 155796428
1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 155796174
6-[4-methyl-3-(6-naphthalen-2-yl-4,5-dihydro-3H-azepin-2-yl)piperazin-1-yl]hexan-3-one
CID 142382873
4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid
CID 135151525
2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 155796275
1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 155796280
N-(2-morpholin-4-ylethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide
CID 87379321
benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate
CID 155796420

Frequently Asked Questions

What is the IUPAC name of 6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one?
The IUPAC name of 6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one (CID 155796150) is 6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one.
What is the SMILES notation for 6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one?
The canonical SMILES for 6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one is CCC(=O)CCCN1CCN(CC)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1.
What is the InChIKey of 6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one?
The InChIKey is YEBMMCSLFQKILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-3-22(30)10-7-13-28-14-15-29(4-2)24(18-28)25-26-17-23(27-25)21-12-11-19-8-5-6-9-20(19)16-21/h5-6,8-9,11-12,16-17,24H,3-4,7,10,13-15,18H2,1-2H3,(H,26,27).
What are the key properties of 6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one?
6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one has a molecular weight of 404.56 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one is sourced from PubChem (CID 155796150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).