4-[[4-(1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide

C25H23N5O3 — CID 16731884

IUPAC4-[[4-(1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide
SMILESCCc1cccc(-c2[nH]c(CNc3ccc(C(N)=O)cc3)nc2-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C25H23N5O3/c1-2-17-4-3-5-19(28-17)24-23(16-8-11-20-21(12-16)33-14-32-20)29-22(30-24)13-27-18-9-6-15(7-10-18)25(26)31/h3-12,27H,2,13-14H2,1H3,(H2,26,31)(H,29,30)
InChIKeyLMFNLMCNYBKJLS-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.14
Rot. Bonds7

About 4-[[4-(1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide

4-[[4-(1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide (PubChem CID 16731884) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 4-[[4-(1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide.

Molecular Properties

Compound Name4-[[4-(1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide
PubChem CID16731884
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name4-[[4-(1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide
SMILESCCc1cccc(-c2[nH]c(CNc3ccc(C(N)=O)cc3)nc2-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C25H23N5O3/c1-2-17-4-3-5-19(28-17)24-23(16-8-11-20-21(12-16)33-14-32-20)29-22(30-24)13-27-18-9-6-15(7-10-18)25(26)31/h3-12,27H,2,13-14H2,1H3,(H2,26,31)(H,29,30)
InChIKeyLMFNLMCNYBKJLS-UHFFFAOYSA-N
XLogP4.14
TPSA115.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide?
The IUPAC name of 4-[[4-(1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide (CID 16731884) is 4-[[4-(1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide.
What is the SMILES notation for 4-[[4-(1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide?
The canonical SMILES for 4-[[4-(1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide is CCc1cccc(-c2[nH]c(CNc3ccc(C(N)=O)cc3)nc2-c2ccc3c(c2)OCO3)n1.
What is the InChIKey of 4-[[4-(1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide?
The InChIKey is LMFNLMCNYBKJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-2-17-4-3-5-19(28-17)24-23(16-8-11-20-21(12-16)33-14-32-20)29-22(30-24)13-27-18-9-6-15(7-10-18)25(26)31/h3-12,27H,2,13-14H2,1H3,(H2,26,31)(H,29,30).
What are the key properties of 4-[[4-(1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide?
4-[[4-(1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide has a molecular weight of 441.49 g/mol, XLogP of 4.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide is sourced from PubChem (CID 16731884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).