1-(fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole

C24H20FN5O — CID 23648646

IUPAC1-(fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccc4n3CF)cc2)n1
InChIInChI=1S/C24H20FN5O/c1-29-14-20(17-10-12-26-13-11-17)24(28-29)18-6-8-19(9-7-18)31-15-23-27-21-4-2-3-5-22(21)30(23)16-25/h2-14H,15-16H2,1H3
InChIKeyOTXRPMGKZVDWAS-UHFFFAOYSA-N
MW413.46 g/mol
LogP5.00
Rot. Bonds6

About 1-(fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole

1-(fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole (PubChem CID 23648646) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is 1-(fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole.

Molecular Properties

Compound Name1-(fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole
PubChem CID23648646
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC Name1-(fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccc4n3CF)cc2)n1
InChIInChI=1S/C24H20FN5O/c1-29-14-20(17-10-12-26-13-11-17)24(28-29)18-6-8-19(9-7-18)31-15-23-27-21-4-2-3-5-22(21)30(23)16-25/h2-14H,15-16H2,1H3
InChIKeyOTXRPMGKZVDWAS-UHFFFAOYSA-N
XLogP5.00
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole?
The IUPAC name of 1-(fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole (CID 23648646) is 1-(fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole.
What is the SMILES notation for 1-(fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole?
The canonical SMILES for 1-(fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole is Cn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccc4n3CF)cc2)n1.
What is the InChIKey of 1-(fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole?
The InChIKey is OTXRPMGKZVDWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c1-29-14-20(17-10-12-26-13-11-17)24(28-29)18-6-8-19(9-7-18)31-15-23-27-21-4-2-3-5-22(21)30(23)16-25/h2-14H,15-16H2,1H3.
What are the key properties of 1-(fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole?
1-(fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole has a molecular weight of 413.46 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole is sourced from PubChem (CID 23648646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).