4-[1-(3-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzamide

C23H19FN4O2 — CID 23658382

IUPAC4-[1-(3-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzamide
SMILESCOc1ccc(-n2cc(-c3ccc(C(N)=O)cc3)nc2-c2cccc(C)n2)cc1F
InChIInChI=1S/C23H19FN4O2/c1-14-4-3-5-19(26-14)23-27-20(15-6-8-16(9-7-15)22(25)29)13-28(23)17-10-11-21(30-2)18(24)12-17/h3-13H,1-2H3,(H2,25,29)
InChIKeyRILXVFAJZKPMDN-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.16
Rot. Bonds5

About 4-[1-(3-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzamide

4-[1-(3-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzamide (PubChem CID 23658382) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 4-[1-(3-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[1-(3-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzamide
PubChem CID23658382
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name4-[1-(3-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzamide
SMILESCOc1ccc(-n2cc(-c3ccc(C(N)=O)cc3)nc2-c2cccc(C)n2)cc1F
InChIInChI=1S/C23H19FN4O2/c1-14-4-3-5-19(26-14)23-27-20(15-6-8-16(9-7-15)22(25)29)13-28(23)17-10-11-21(30-2)18(24)12-17/h3-13H,1-2H3,(H2,25,29)
InChIKeyRILXVFAJZKPMDN-UHFFFAOYSA-N
XLogP4.16
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzamide?
The IUPAC name of 4-[1-(3-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzamide (CID 23658382) is 4-[1-(3-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 4-[1-(3-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzamide?
The canonical SMILES for 4-[1-(3-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzamide is COc1ccc(-n2cc(-c3ccc(C(N)=O)cc3)nc2-c2cccc(C)n2)cc1F.
What is the InChIKey of 4-[1-(3-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzamide?
The InChIKey is RILXVFAJZKPMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-14-4-3-5-19(26-14)23-27-20(15-6-8-16(9-7-15)22(25)29)13-28(23)17-10-11-21(30-2)18(24)12-17/h3-13H,1-2H3,(H2,25,29).
What are the key properties of 4-[1-(3-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzamide?
4-[1-(3-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzamide has a molecular weight of 402.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 23658382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).