1-adamantyl-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone

C25H32N4O — CID 25284984

IUPAC1-adamantyl-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone
SMILESCc1ccc(-n2ccnc2N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C25H32N4O/c1-18-2-4-22(5-3-18)29-7-6-26-24(29)28-10-8-27(9-11-28)23(30)25-15-19-12-20(16-25)14-21(13-19)17-25/h2-7,19-21H,8-17H2,1H3
InChIKeyUNQZRIHHYNVKLN-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.05
Rot. Bonds3

About 1-adamantyl-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone

1-adamantyl-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone (PubChem CID 25284984) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-adamantyl-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone
PubChem CID25284984
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name1-adamantyl-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone
SMILESCc1ccc(-n2ccnc2N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C25H32N4O/c1-18-2-4-22(5-3-18)29-7-6-26-24(29)28-10-8-27(9-11-28)23(30)25-15-19-12-20(16-25)14-21(13-19)17-25/h2-7,19-21H,8-17H2,1H3
InChIKeyUNQZRIHHYNVKLN-UHFFFAOYSA-N
XLogP4.05
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Biphenyl-4-Yl)-8-[(1-Methyl-1h-Imidazol-2-Yl)methyl]-2,8-Diazaspiro[4.5]decan-1-One
CID 71748680
N-benzyl-N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide
CID 14664354
1-(3,4-Dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one
CID 25173666
4-(1-benzyl-1H-imidazol-2-yl)-N-methyl-N,4-diphenylpiperidine-1-carboxamide
CID 44406285
1'-[(1-Methylimidazol-2-yl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one
CID 44462748
3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-N-propan-2-ylpropanamide
CID 44547186
3-imidazol-1-yl-N,N,2,2-tetramethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide
CID 44547332
4-[[5-[[4-(Adamantane-1-carbonyl)-7-phenyl-1,4-diazepan-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 46937268
4-[[5-[[4-(Adamantane-1-carbonyl)-1,4-diazepan-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 51350649
4-[[5-[[4-(Adamantane-1-carbonyl)-5-phenyl-1,4-diazepan-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 51350890
1'-((1-Methyl-1H-imidazol-2-yl)methyl)-1-phenylspiro[indoline-3,4'-piperidin]-2-one
CID 57385246
1'-[(1-Methylimidazol-2-yl)methyl]-1-phenyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 57385491

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone (CID 25284984) is 1-adamantyl-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone is Cc1ccc(-n2ccnc2N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1.
What is the InChIKey of 1-adamantyl-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is UNQZRIHHYNVKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-18-2-4-22(5-3-18)29-7-6-26-24(29)28-10-8-27(9-11-28)23(30)25-15-19-12-20(16-25)14-21(13-19)17-25/h2-7,19-21H,8-17H2,1H3.
What are the key properties of 1-adamantyl-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone?
1-adamantyl-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 404.56 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 25284984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).