1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone

C21H23N5O — CID 155796231

IUPAC1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone
SMILESCN1CCN(C(=O)Cc2ccccc2)C(c2ncc(-c3cccnc3)[nH]2)C1
InChIInChI=1S/C21H23N5O/c1-25-10-11-26(20(27)12-16-6-3-2-4-7-16)19(15-25)21-23-14-18(24-21)17-8-5-9-22-13-17/h2-9,13-14,19H,10-12,15H2,1H3,(H,23,24)
InChIKeyYJDDQDSHVNCGNW-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.53
Rot. Bonds4

About 1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone

1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone (PubChem CID 155796231) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone
PubChem CID155796231
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone
SMILESCN1CCN(C(=O)Cc2ccccc2)C(c2ncc(-c3cccnc3)[nH]2)C1
InChIInChI=1S/C21H23N5O/c1-25-10-11-26(20(27)12-16-6-3-2-4-7-16)19(15-25)21-23-14-18(24-21)17-8-5-9-22-13-17/h2-9,13-14,19H,10-12,15H2,1H3,(H,23,24)
InChIKeyYJDDQDSHVNCGNW-UHFFFAOYSA-N
XLogP2.53
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-[5-(1,3-oxazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
CID 155796353
1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 155796280
1-[4-methyl-2-[5-(1-methylindazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
CID 155796185
1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 146132426
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
2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 155796275
2-pyridin-3-yl-1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 59166503
benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate
CID 155796420
2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 70986628
1-[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 124621620
1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[2-[(2R)-2-amino-4-methyl-1H-azet-2-yl]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 70986255
N-[(1R)-2-oxo-1-phenyl-2-[2-[5-[4-[4-[2-[1-[(2R)-2-phenyl-2-[(2-pyridin-3-ylacetyl)amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]-2-pyridin-3-ylacetamide
CID 90730667

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone (CID 155796231) is 1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone is CN1CCN(C(=O)Cc2ccccc2)C(c2ncc(-c3cccnc3)[nH]2)C1.
What is the InChIKey of 1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is YJDDQDSHVNCGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-25-10-11-26(20(27)12-16-6-3-2-4-7-16)19(15-25)21-23-14-18(24-21)17-8-5-9-22-13-17/h2-9,13-14,19H,10-12,15H2,1H3,(H,23,24).
What are the key properties of 1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone?
1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 361.45 g/mol, XLogP of 2.53, 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-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 155796231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).