[2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(6-methyl-3-pyridinyl)methanone

C29H20FN5O — CID 155533644

IUPAC[2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)n2c(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)nc3ccccc32)cn1
InChIInChI=1S/C29H20FN5O/c1-19-11-12-21(17-31-19)29(36)35-26-10-6-5-9-25(26)32-28(35)24-18-34(23-7-3-2-4-8-23)33-27(24)20-13-15-22(30)16-14-20/h2-18H,1H3
InChIKeyJHEKCMNDZXOLGB-UHFFFAOYSA-N
MW473.51 g/mol
LogP6.09
Rot. Bonds4

About [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(6-methyl-3-pyridinyl)methanone

[2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 155533644) has the molecular formula C29H20FN5O and a molecular weight of 473.51 g/mol. Its IUPAC name is [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID155533644
Molecular FormulaC29H20FN5O
Molecular Weight473.51 g/mol
Exact Mass473.17
IUPAC Name[2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)n2c(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)nc3ccccc32)cn1
InChIInChI=1S/C29H20FN5O/c1-19-11-12-21(17-31-19)29(36)35-26-10-6-5-9-25(26)32-28(35)24-18-34(23-7-3-2-4-8-23)33-27(24)20-13-15-22(30)16-14-20/h2-18H,1H3
InChIKeyJHEKCMNDZXOLGB-UHFFFAOYSA-N
XLogP6.09
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.51
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 155533644) is [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)n2c(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)nc3ccccc32)cn1.
What is the InChIKey of [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is JHEKCMNDZXOLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20FN5O/c1-19-11-12-21(17-31-19)29(36)35-26-10-6-5-9-25(26)32-28(35)24-18-34(23-7-3-2-4-8-23)33-27(24)20-13-15-22(30)16-14-20/h2-18H,1H3.
What are the key properties of [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(6-methyl-3-pyridinyl)methanone?
[2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 473.51 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 155533644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).