1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone

C18H18BrFN4O — CID 164718863

IUPAC1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone
SMILESCCn1ncc(Cn2cc(C)nc2-c2ccc(F)cc2C(C)=O)c1Br
InChIInChI=1S/C18H18BrFN4O/c1-4-24-17(19)13(8-21-24)10-23-9-11(2)22-18(23)15-6-5-14(20)7-16(15)12(3)25/h5-9H,4,10H2,1-3H3
InChIKeyYNMCRJWWPWILGO-UHFFFAOYSA-N
MW405.27 g/mol
LogP4.23
Rot. Bonds5

About 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone

1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone (PubChem CID 164718863) has the molecular formula C18H18BrFN4O and a molecular weight of 405.27 g/mol. Its IUPAC name is 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone
PubChem CID164718863
Molecular FormulaC18H18BrFN4O
Molecular Weight405.27 g/mol
Exact Mass404.06
IUPAC Name1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone
SMILESCCn1ncc(Cn2cc(C)nc2-c2ccc(F)cc2C(C)=O)c1Br
InChIInChI=1S/C18H18BrFN4O/c1-4-24-17(19)13(8-21-24)10-23-9-11(2)22-18(23)15-6-5-14(20)7-16(15)12(3)25/h5-9H,4,10H2,1-3H3
InChIKeyYNMCRJWWPWILGO-UHFFFAOYSA-N
XLogP4.23
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.27
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 46968307
CID 46968307
CID 97405311
CID 97405311
CID 97467098
CID 97467098
CID 124049410
CID 124049410
CID 48988900
CID 48988900
CID 56724035
CID 56724035
CID 56711062
CID 56711062
CID 56894714
CID 56894714
CID 71788598
CID 71788598
CID 155901501
CID 155901501
CID 155901514
CID 155901514
CID 164630253
CID 164630253

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone (CID 164718863) is 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone is CCn1ncc(Cn2cc(C)nc2-c2ccc(F)cc2C(C)=O)c1Br.
What is the InChIKey of 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone?
The InChIKey is YNMCRJWWPWILGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN4O/c1-4-24-17(19)13(8-21-24)10-23-9-11(2)22-18(23)15-6-5-14(20)7-16(15)12(3)25/h5-9H,4,10H2,1-3H3.
What are the key properties of 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone?
1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone has a molecular weight of 405.27 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone is sourced from PubChem (CID 164718863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).