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

C24H21N5O3 — CID 16731883

IUPAC4-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide
SMILESCc1cccc(-c2[nH]c(CNc3ccc(C(N)=O)cc3)nc2-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C24H21N5O3/c1-14-3-2-4-18(27-14)23-22(16-7-10-19-20(11-16)32-13-31-19)28-21(29-23)12-26-17-8-5-15(6-9-17)24(25)30/h2-11,26H,12-13H2,1H3,(H2,25,30)(H,28,29)
InChIKeyRHCFFZIVATXZJH-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.89
Rot. Bonds6

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

4-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide (PubChem CID 16731883) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 4-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide.

Molecular Properties

Compound Name4-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide
PubChem CID16731883
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name4-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide
SMILESCc1cccc(-c2[nH]c(CNc3ccc(C(N)=O)cc3)nc2-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C24H21N5O3/c1-14-3-2-4-18(27-14)23-22(16-7-10-19-20(11-16)32-13-31-19)28-21(29-23)12-26-17-8-5-15(6-9-17)24(25)30/h2-11,26H,12-13H2,1H3,(H2,25,30)(H,28,29)
InChIKeyRHCFFZIVATXZJH-UHFFFAOYSA-N
XLogP3.89
TPSA115.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide?
The IUPAC name of 4-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide (CID 16731883) is 4-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide.
What is the SMILES notation for 4-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide?
The canonical SMILES for 4-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide is Cc1cccc(-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-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide?
The InChIKey is RHCFFZIVATXZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-14-3-2-4-18(27-14)23-22(16-7-10-19-20(11-16)32-13-31-19)28-21(29-23)12-26-17-8-5-15(6-9-17)24(25)30/h2-11,26H,12-13H2,1H3,(H2,25,30)(H,28,29).
What are the key properties of 4-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide?
4-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide has a molecular weight of 427.46 g/mol, XLogP of 3.89, 6 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-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzamide is sourced from PubChem (CID 16731883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).