1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone

C26H20FN5O — CID 112813247

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone
SMILESCc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCn3c2nc2ccccc23)c1
InChIInChI=1S/C26H20FN5O/c1-17-5-4-6-18(15-17)24-21(16-32(29-24)20-11-9-19(27)10-12-20)25(33)31-14-13-30-23-8-3-2-7-22(23)28-26(30)31/h2-12,15-16H,13-14H2,1H3
InChIKeyJZWAKVSOEBDBRQ-UHFFFAOYSA-N
MW437.48 g/mol
LogP5.00
Rot. Bonds3

About 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone (PubChem CID 112813247) has the molecular formula C26H20FN5O and a molecular weight of 437.48 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone
PubChem CID112813247
Molecular FormulaC26H20FN5O
Molecular Weight437.48 g/mol
Exact Mass437.17
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone
SMILESCc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCn3c2nc2ccccc23)c1
InChIInChI=1S/C26H20FN5O/c1-17-5-4-6-18(15-17)24-21(16-32(29-24)20-11-9-19(27)10-12-20)25(33)31-14-13-30-23-8-3-2-7-22(23)28-26(30)31/h2-12,15-16H,13-14H2,1H3
InChIKeyJZWAKVSOEBDBRQ-UHFFFAOYSA-N
XLogP5.00
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-(3-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide
CID 146154633
[(3R)-3-hydroxypyrrolidin-1-yl]-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methanone
CID 111561482
N-(cyanomethyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)-N-phenylpyrazole-4-carboxamide
CID 112772705
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone
CID 791787
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 36568004
1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid
CID 43217709
N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 112833610
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
CID 30866504
N-[2-(benzylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 55676157
N-[3-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 46518005
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 40795701
[2-(carbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxylate
CID 7800945

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone?
The IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone (CID 112813247) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone is Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCn3c2nc2ccccc23)c1.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone?
The InChIKey is JZWAKVSOEBDBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O/c1-17-5-4-6-18(15-17)24-21(16-32(29-24)20-11-9-19(27)10-12-20)25(33)31-14-13-30-23-8-3-2-7-22(23)28-26(30)31/h2-12,15-16H,13-14H2,1H3.
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone has a molecular weight of 437.48 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 112813247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).