5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one

C16H16N4O — CID 60931656

IUPAC5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one
SMILESCn1cc(NCc2ccc(-n3ccnc3)cc2)ccc1=O
InChIInChI=1S/C16H16N4O/c1-19-11-14(4-7-16(19)21)18-10-13-2-5-15(6-3-13)20-9-8-17-12-20/h2-9,11-12,18H,10H2,1H3
InChIKeyCJZIOONTKDGAAH-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.18
Rot. Bonds4

About 5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one

5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one (PubChem CID 60931656) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one
PubChem CID60931656
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one
SMILESCn1cc(NCc2ccc(-n3ccnc3)cc2)ccc1=O
InChIInChI=1S/C16H16N4O/c1-19-11-14(4-7-16(19)21)18-10-13-2-5-15(6-3-13)20-9-8-17-12-20/h2-9,11-12,18H,10H2,1H3
InChIKeyCJZIOONTKDGAAH-UHFFFAOYSA-N
XLogP2.18
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
4-[(4-imidazol-1-ylphenyl)methylamino]phenol
CID 43790371
3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline
CID 43229429
N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide
CID 78887879
1-methyl-5-[(3-methylimidazol-4-yl)methylamino]pyridin-2-one
CID 66116442
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
N-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43777191
1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one
CID 60930659
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
[2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol
CID 110897397
3-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-1-methyl-4-nitropyrazol-5-amine
CID 133441516
N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline
CID 75385215

Frequently Asked Questions

What is the IUPAC name of 5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one?
The IUPAC name of 5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one (CID 60931656) is 5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one is Cn1cc(NCc2ccc(-n3ccnc3)cc2)ccc1=O.
What is the InChIKey of 5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one?
The InChIKey is CJZIOONTKDGAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-19-11-14(4-7-16(19)21)18-10-13-2-5-15(6-3-13)20-9-8-17-12-20/h2-9,11-12,18H,10H2,1H3.
What are the key properties of 5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one?
5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one is sourced from PubChem (CID 60931656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).