4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methylbenzamide

C23H18N4O3 — CID 10135481

IUPAC4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1
InChIInChI=1S/C23H18N4O3/c1-24-23(28)15-7-5-14(6-8-15)22-26-20(21(27-22)17-4-2-3-11-25-17)16-9-10-18-19(12-16)30-13-29-18/h2-12H,13H2,1H3,(H,24,28)(H,26,27)
InChIKeyKVVRAZBPOSZJLH-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.89
Rot. Bonds4

About 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methylbenzamide

4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methylbenzamide (PubChem CID 10135481) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methylbenzamide
PubChem CID10135481
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1
InChIInChI=1S/C23H18N4O3/c1-24-23(28)15-7-5-14(6-8-15)22-26-20(21(27-22)17-4-2-3-11-25-17)16-9-10-18-19(12-16)30-13-29-18/h2-12H,13H2,1H3,(H,24,28)(H,26,27)
InChIKeyKVVRAZBPOSZJLH-UHFFFAOYSA-N
XLogP3.89
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methylbenzamide?
The IUPAC name of 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methylbenzamide (CID 10135481) is 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methylbenzamide?
The canonical SMILES for 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1.
What is the InChIKey of 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methylbenzamide?
The InChIKey is KVVRAZBPOSZJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-24-23(28)15-7-5-14(6-8-15)22-26-20(21(27-22)17-4-2-3-11-25-17)16-9-10-18-19(12-16)30-13-29-18/h2-12H,13H2,1H3,(H,24,28)(H,26,27).
What are the key properties of 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methylbenzamide?
4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methylbenzamide has a molecular weight of 398.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-methylbenzamide is sourced from PubChem (CID 10135481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).