3-[[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]methyl]benzamide

C22H18FN5O2 — CID 44568360

IUPAC3-[[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]methyl]benzamide
SMILESCOc1nccc(-c2c(-c3ccc(F)cc3)ncn2Cc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C22H18FN5O2/c1-30-22-25-10-9-18(27-22)20-19(15-5-7-17(23)8-6-15)26-13-28(20)12-14-3-2-4-16(11-14)21(24)29/h2-11,13H,12H2,1H3,(H2,24,29)
InChIKeyXMMBXIRLZKDILC-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.30
Rot. Bonds6

About 3-[[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]methyl]benzamide

3-[[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]methyl]benzamide (PubChem CID 44568360) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]methyl]benzamide
PubChem CID44568360
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name3-[[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]methyl]benzamide
SMILESCOc1nccc(-c2c(-c3ccc(F)cc3)ncn2Cc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C22H18FN5O2/c1-30-22-25-10-9-18(27-22)20-19(15-5-7-17(23)8-6-15)26-13-28(20)12-14-3-2-4-16(11-14)21(24)29/h2-11,13H,12H2,1H3,(H2,24,29)
InChIKeyXMMBXIRLZKDILC-UHFFFAOYSA-N
XLogP3.30
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]methyl]benzamide?
The IUPAC name of 3-[[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]methyl]benzamide (CID 44568360) is 3-[[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]methyl]benzamide is COc1nccc(-c2c(-c3ccc(F)cc3)ncn2Cc2cccc(C(N)=O)c2)n1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]methyl]benzamide?
The InChIKey is XMMBXIRLZKDILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-30-22-25-10-9-18(27-22)20-19(15-5-7-17(23)8-6-15)26-13-28(20)12-14-3-2-4-16(11-14)21(24)29/h2-11,13H,12H2,1H3,(H2,24,29).
What are the key properties of 3-[[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]methyl]benzamide?
3-[[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]methyl]benzamide has a molecular weight of 403.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]methyl]benzamide is sourced from PubChem (CID 44568360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).