benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate

C26H26N4O2 — CID 155796420

IUPACbenzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate
SMILESCN1CCN(C(=O)OCc2ccccc2)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1
InChIInChI=1S/C26H26N4O2/c1-29-13-14-30(26(31)32-18-19-7-3-2-4-8-19)24(17-29)25-27-16-23(28-25)22-12-11-20-9-5-6-10-21(20)15-22/h2-12,15-16,24H,13-14,17-18H2,1H3,(H,27,28)
InChIKeyBXVWGTQWFHIHEA-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.86
Rot. Bonds4

About benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate

benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate (PubChem CID 155796420) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate
PubChem CID155796420
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Namebenzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate
SMILESCN1CCN(C(=O)OCc2ccccc2)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1
InChIInChI=1S/C26H26N4O2/c1-29-13-14-30(26(31)32-18-19-7-3-2-4-8-19)24(17-29)25-27-16-23(28-25)22-12-11-20-9-5-6-10-21(20)15-22/h2-12,15-16,24H,13-14,17-18H2,1H3,(H,27,28)
InChIKeyBXVWGTQWFHIHEA-UHFFFAOYSA-N
XLogP4.86
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 155796280
2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 155796275
6-[5-[4-[6-[2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylic acid
CID 151845750
4,4-difluoro-2-[5-[4-[6-[2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 129094825
1-[4-methyl-2-[5-(1-methylindazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
CID 155796185
1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 155796174
(2S)-2-[5-[4-[2-tert-butyl-4-[2-[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 90893083
4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid
CID 135151525
benzyl (2S)-2-[5-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 67681665
benzyl (2S)-2-[6-[2-[4-[2-[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 89491865
1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone
CID 155796231
benzyl (2S)-2-[5-[4-[3-oxo-1-phenyl-6-[2-[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1H-imidazol-5-yl]-1,4-dihydroisoquinolin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 58298728

Frequently Asked Questions

What is the IUPAC name of benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate (CID 155796420) is benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate is CN1CCN(C(=O)OCc2ccccc2)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1.
What is the InChIKey of benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate?
The InChIKey is BXVWGTQWFHIHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-29-13-14-30(26(31)32-18-19-7-3-2-4-8-19)24(17-29)25-27-16-23(28-25)22-12-11-20-9-5-6-10-21(20)15-22/h2-12,15-16,24H,13-14,17-18H2,1H3,(H,27,28).
What are the key properties of benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate?
benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate has a molecular weight of 426.52 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 155796420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).