1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-methyl-2-phenylhydrazinyl)-2,3-dihydropyridin-6-one

C17H21N5O — CID 18957750

IUPAC1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-methyl-2-phenylhydrazinyl)-2,3-dihydropyridin-6-one
SMILESCc1[nH]cnc1CN1CCC(NN(C)c2ccccc2)=CC1=O
InChIInChI=1S/C17H21N5O/c1-13-16(19-12-18-13)11-22-9-8-14(10-17(22)23)20-21(2)15-6-4-3-5-7-15/h3-7,10,12,20H,8-9,11H2,1-2H3,(H,18,19)
InChIKeyPBEUMTWYLAGXEX-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.98
Rot. Bonds5

About 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-methyl-2-phenylhydrazinyl)-2,3-dihydropyridin-6-one

1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-methyl-2-phenylhydrazinyl)-2,3-dihydropyridin-6-one (PubChem CID 18957750) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-methyl-2-phenylhydrazinyl)-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-methyl-2-phenylhydrazinyl)-2,3-dihydropyridin-6-one
PubChem CID18957750
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-methyl-2-phenylhydrazinyl)-2,3-dihydropyridin-6-one
SMILESCc1[nH]cnc1CN1CCC(NN(C)c2ccccc2)=CC1=O
InChIInChI=1S/C17H21N5O/c1-13-16(19-12-18-13)11-22-9-8-14(10-17(22)23)20-21(2)15-6-4-3-5-7-15/h3-7,10,12,20H,8-9,11H2,1-2H3,(H,18,19)
InChIKeyPBEUMTWYLAGXEX-UHFFFAOYSA-N
XLogP1.98
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-phenylmethoxy-3,4-dihydropyrido[4,3-b]indol-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-methyl-2-phenylhydrazinyl)-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-methyl-2-phenylhydrazinyl)-2,3-dihydropyridin-6-one (CID 18957750) is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-methyl-2-phenylhydrazinyl)-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-methyl-2-phenylhydrazinyl)-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-methyl-2-phenylhydrazinyl)-2,3-dihydropyridin-6-one is Cc1[nH]cnc1CN1CCC(NN(C)c2ccccc2)=CC1=O.
What is the InChIKey of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-methyl-2-phenylhydrazinyl)-2,3-dihydropyridin-6-one?
The InChIKey is PBEUMTWYLAGXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13-16(19-12-18-13)11-22-9-8-14(10-17(22)23)20-21(2)15-6-4-3-5-7-15/h3-7,10,12,20H,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-methyl-2-phenylhydrazinyl)-2,3-dihydropyridin-6-one?
1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-methyl-2-phenylhydrazinyl)-2,3-dihydropyridin-6-one has a molecular weight of 311.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(2-methyl-2-phenylhydrazinyl)-2,3-dihydropyridin-6-one is sourced from PubChem (CID 18957750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).