3-[3-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]-5-methyl-1H-imidazol-2-one

C20H17F2N5O — CID 167929633

IUPAC3-[3-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]-5-methyl-1H-imidazol-2-one
SMILESCc1cn(-c2cccc(NCc3cn[nH]c3-c3c(F)cccc3F)c2)c(=O)[nH]1
InChIInChI=1S/C20H17F2N5O/c1-12-11-27(20(28)25-12)15-5-2-4-14(8-15)23-9-13-10-24-26-19(13)18-16(21)6-3-7-17(18)22/h2-8,10-11,23H,9H2,1H3,(H,24,26)(H,25,28)
InChIKeyGZEKEDNWWPZFHB-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.75
Rot. Bonds5

About 3-[3-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]-5-methyl-1H-imidazol-2-one

3-[3-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]-5-methyl-1H-imidazol-2-one (PubChem CID 167929633) has the molecular formula C20H17F2N5O and a molecular weight of 381.39 g/mol. Its IUPAC name is 3-[3-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]-5-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]-5-methyl-1H-imidazol-2-one
PubChem CID167929633
Molecular FormulaC20H17F2N5O
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name3-[3-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]-5-methyl-1H-imidazol-2-one
SMILESCc1cn(-c2cccc(NCc3cn[nH]c3-c3c(F)cccc3F)c2)c(=O)[nH]1
InChIInChI=1S/C20H17F2N5O/c1-12-11-27(20(28)25-12)15-5-2-4-14(8-15)23-9-13-10-24-26-19(13)18-16(21)6-3-7-17(18)22/h2-8,10-11,23H,9H2,1H3,(H,24,26)(H,25,28)
InChIKeyGZEKEDNWWPZFHB-UHFFFAOYSA-N
XLogP3.75
TPSA78.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[3-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]-5-methyl-1H-imidazol-2-one with MolForge

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Related Compounds

N-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-3-[(R)-methylsulfinyl]aniline
CID 97236658
1-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine
CID 79485630
N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 75496081
N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine
CID 75382057
2-[[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-ethylbutanoic acid
CID 122128831
5-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methylamino]-3H-1,3-benzoxazol-2-one
CID 86806780
3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43761640
N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]aniline
CID 166377177
5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole
CID 43742059
N-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 103818774
1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyridin-2-one
CID 60932541
3-bromo-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 115909467

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]-5-methyl-1H-imidazol-2-one?
The IUPAC name of 3-[3-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]-5-methyl-1H-imidazol-2-one (CID 167929633) is 3-[3-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]-5-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]-5-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-[3-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]-5-methyl-1H-imidazol-2-one is Cc1cn(-c2cccc(NCc3cn[nH]c3-c3c(F)cccc3F)c2)c(=O)[nH]1.
What is the InChIKey of 3-[3-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]-5-methyl-1H-imidazol-2-one?
The InChIKey is GZEKEDNWWPZFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O/c1-12-11-27(20(28)25-12)15-5-2-4-14(8-15)23-9-13-10-24-26-19(13)18-16(21)6-3-7-17(18)22/h2-8,10-11,23H,9H2,1H3,(H,24,26)(H,25,28).
What are the key properties of 3-[3-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]-5-methyl-1H-imidazol-2-one?
3-[3-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]-5-methyl-1H-imidazol-2-one has a molecular weight of 381.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]-5-methyl-1H-imidazol-2-one is sourced from PubChem (CID 167929633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).