1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone

C23H26N4O — CID 155796174

IUPAC1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC2CC2)CC1c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C23H26N4O/c1-16(28)27-11-10-26(14-17-6-7-17)15-22(27)23-24-13-21(25-23)20-9-8-18-4-2-3-5-19(18)12-20/h2-5,8-9,12-13,17,22H,6-7,10-11,14-15H2,1H3,(H,24,25)
InChIKeyZTBITRGSMDFFAQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.85
Rot. Bonds4

About 1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone

1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 155796174) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID155796174
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC2CC2)CC1c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C23H26N4O/c1-16(28)27-11-10-26(14-17-6-7-17)15-22(27)23-24-13-21(25-23)20-9-8-18-4-2-3-5-19(18)12-20/h2-5,8-9,12-13,17,22H,6-7,10-11,14-15H2,1H3,(H,24,25)
InChIKeyZTBITRGSMDFFAQ-UHFFFAOYSA-N
XLogP3.85
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 155796275
benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate
CID 155796420
1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 155796280
4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid
CID 135151525
6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one
CID 155796150
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
1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 162721818
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
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-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine
CID 135151624
N-[(2S)-3-methyl-1-[(2S)-2-[5-[6-[4-[2-[(2S)-1-[(2S)-3-methyl-2-phenylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]acetamide
CID 163431896
[1-[2-[5-[6-[4-[2-[1-[2-(ethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 150912160

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone (CID 155796174) is 1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(CC2CC2)CC1c1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is ZTBITRGSMDFFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16(28)27-11-10-26(14-17-6-7-17)15-22(27)23-24-13-21(25-23)20-9-8-18-4-2-3-5-19(18)12-20/h2-5,8-9,12-13,17,22H,6-7,10-11,14-15H2,1H3,(H,24,25).
What are the key properties of 1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone?
1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 374.49 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 155796174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).