4-[[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]benzamide

C24H22N4O2 — CID 59767776

IUPAC4-[[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]benzamide
SMILESCOc1cccc(-c2nc(Cc3ccc(C(N)=O)cc3)[nH]c2-c2cccc(C)n2)c1
InChIInChI=1S/C24H22N4O2/c1-15-5-3-8-20(26-15)23-22(18-6-4-7-19(14-18)30-2)27-21(28-23)13-16-9-11-17(12-10-16)24(25)29/h3-12,14H,13H2,1-2H3,(H2,25,29)(H,27,28)
InChIKeyACAMIAAGWDJAKA-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.15
Rot. Bonds6

About 4-[[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]benzamide

4-[[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]benzamide (PubChem CID 59767776) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]benzamide
PubChem CID59767776
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name4-[[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]benzamide
SMILESCOc1cccc(-c2nc(Cc3ccc(C(N)=O)cc3)[nH]c2-c2cccc(C)n2)c1
InChIInChI=1S/C24H22N4O2/c1-15-5-3-8-20(26-15)23-22(18-6-4-7-19(14-18)30-2)27-21(28-23)13-16-9-11-17(12-10-16)24(25)29/h3-12,14H,13H2,1-2H3,(H2,25,29)(H,27,28)
InChIKeyACAMIAAGWDJAKA-UHFFFAOYSA-N
XLogP4.15
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]benzamide?
The IUPAC name of 4-[[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]benzamide (CID 59767776) is 4-[[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]benzamide is COc1cccc(-c2nc(Cc3ccc(C(N)=O)cc3)[nH]c2-c2cccc(C)n2)c1.
What is the InChIKey of 4-[[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]benzamide?
The InChIKey is ACAMIAAGWDJAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-15-5-3-8-20(26-15)23-22(18-6-4-7-19(14-18)30-2)27-21(28-23)13-16-9-11-17(12-10-16)24(25)29/h3-12,14H,13H2,1-2H3,(H2,25,29)(H,27,28).
What are the key properties of 4-[[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]benzamide?
4-[[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]benzamide has a molecular weight of 398.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 59767776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).