1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone

C25H25N5O — CID 155796280

IUPAC1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone
SMILESCN1CCN(C(=O)Cc2ccncc2)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1
InChIInChI=1S/C25H25N5O/c1-29-12-13-30(24(31)14-18-8-10-26-11-9-18)23(17-29)25-27-16-22(28-25)21-7-6-19-4-2-3-5-20(19)15-21/h2-11,15-16,23H,12-14,17H2,1H3,(H,27,28)
InChIKeySYPKPXIBQBEKFF-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.68
Rot. Bonds4

About 1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone

1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone (PubChem CID 155796280) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone
PubChem CID155796280
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone
SMILESCN1CCN(C(=O)Cc2ccncc2)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1
InChIInChI=1S/C25H25N5O/c1-29-12-13-30(24(31)14-18-8-10-26-11-9-18)23(17-29)25-27-16-22(28-25)21-7-6-19-4-2-3-5-20(19)15-21/h2-11,15-16,23H,12-14,17H2,1H3,(H,27,28)
InChIKeySYPKPXIBQBEKFF-UHFFFAOYSA-N
XLogP3.68
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
1-[4-methyl-2-[5-(1-methylindazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
CID 155796185
1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone
CID 155796231
benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate
CID 155796420
1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
CID 155796353
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-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;sulfane
CID 159985199
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
2-phenyl-1-[(3R)-3-[[[5-[6-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]pyrimidin-2-yl]amino]methyl]pyrrolidin-1-yl]ethanone
CID 51036231
2-pyridin-4-yl-1-[(2S)-2-[5-[4-[3,3,7,7-tetramethyl-8-[4-[2-[(2S)-1-(2-pyridin-4-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2,5,6-tetrahydro-s-indacen-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 155715835

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone (CID 155796280) is 1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone is CN1CCN(C(=O)Cc2ccncc2)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1.
What is the InChIKey of 1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone?
The InChIKey is SYPKPXIBQBEKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-29-12-13-30(24(31)14-18-8-10-26-11-9-18)23(17-29)25-27-16-22(28-25)21-7-6-19-4-2-3-5-20(19)15-21/h2-11,15-16,23H,12-14,17H2,1H3,(H,27,28).
What are the key properties of 1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone?
1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone has a molecular weight of 411.51 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 155796280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).