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

C30H36N4O — CID 135151596

IUPAC6-[4-benzyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-ol
SMILESCCC(O)CCCN1CCN(Cc2ccccc2)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1
InChIInChI=1S/C30H36N4O/c1-2-27(35)13-8-16-33-17-18-34(21-23-9-4-3-5-10-23)29(22-33)30-31-20-28(32-30)26-15-14-24-11-6-7-12-25(24)19-26/h3-7,9-12,14-15,19-20,27,29,35H,2,8,13,16-18,21-22H2,1H3,(H,31,32)
InChIKeyQLHGILYIHTWWDD-UHFFFAOYSA-N
MW468.65 g/mol
LogP5.64
Rot. Bonds9

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

6-[4-benzyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-ol (PubChem CID 135151596) has the molecular formula C30H36N4O and a molecular weight of 468.65 g/mol. Its IUPAC name is 6-[4-benzyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-ol.

Molecular Properties

Compound Name6-[4-benzyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-ol
PubChem CID135151596
Molecular FormulaC30H36N4O
Molecular Weight468.65 g/mol
Exact Mass468.29
IUPAC Name6-[4-benzyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-ol
SMILESCCC(O)CCCN1CCN(Cc2ccccc2)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1
InChIInChI=1S/C30H36N4O/c1-2-27(35)13-8-16-33-17-18-34(21-23-9-4-3-5-10-23)29(22-33)30-31-20-28(32-30)26-15-14-24-11-6-7-12-25(24)19-26/h3-7,9-12,14-15,19-20,27,29,35H,2,8,13,16-18,21-22H2,1H3,(H,31,32)
InChIKeyQLHGILYIHTWWDD-UHFFFAOYSA-N
XLogP5.64
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.65
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[4-benzyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one
CID 155796150
1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine
CID 135151624
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
benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate
CID 155796420
1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 155796174
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
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
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
3-methyl-1-[2-[5-[4-[6-[2-[1-(3-methylpentanoyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]pentan-1-one
CID 66982085
1-[4-methyl-2-[5-(1-methylindazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
CID 155796185
2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole
CID 141299520

Frequently Asked Questions

What is the IUPAC name of 6-[4-benzyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-ol?
The IUPAC name of 6-[4-benzyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-ol (CID 135151596) is 6-[4-benzyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-ol.
What is the SMILES notation for 6-[4-benzyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-ol?
The canonical SMILES for 6-[4-benzyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-ol is CCC(O)CCCN1CCN(Cc2ccccc2)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1.
What is the InChIKey of 6-[4-benzyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-ol?
The InChIKey is QLHGILYIHTWWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O/c1-2-27(35)13-8-16-33-17-18-34(21-23-9-4-3-5-10-23)29(22-33)30-31-20-28(32-30)26-15-14-24-11-6-7-12-25(24)19-26/h3-7,9-12,14-15,19-20,27,29,35H,2,8,13,16-18,21-22H2,1H3,(H,31,32).
What are the key properties of 6-[4-benzyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-ol?
6-[4-benzyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-ol has a molecular weight of 468.65 g/mol, XLogP of 5.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-benzyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-ol is sourced from PubChem (CID 135151596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).