N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide

C19H19N3O3 — CID 17028556

IUPACN-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
SMILESCc1cc2nc(C)n(CC(=O)Nc3ccc4c(c3)OCO4)c2cc1C
InChIInChI=1S/C19H19N3O3/c1-11-6-15-16(7-12(11)2)22(13(3)20-15)9-19(23)21-14-4-5-17-18(8-14)25-10-24-17/h4-8H,9-10H2,1-3H3,(H,21,23)
InChIKeyPCPGJGJRBAKHPB-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.33
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide (PubChem CID 17028556) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
PubChem CID17028556
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
SMILESCc1cc2nc(C)n(CC(=O)Nc3ccc4c(c3)OCO4)c2cc1C
InChIInChI=1S/C19H19N3O3/c1-11-6-15-16(7-12(11)2)22(13(3)20-15)9-19(23)21-14-4-5-17-18(8-14)25-10-24-17/h4-8H,9-10H2,1-3H3,(H,21,23)
InChIKeyPCPGJGJRBAKHPB-UHFFFAOYSA-N
XLogP3.33
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-(2-methyl-7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide
CID 18525475
N-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide
CID 39158170
N-(1,3-benzodioxol-5-yl)-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028639
2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide
CID 131951300
N-(2,6-dimethylphenyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028552
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(dimethylamino)ethyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 46971109
N-(2-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide
CID 39158171
N-[(1R)-1-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 41184023
N-propan-2-yl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028520
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370618
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028516

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide (CID 17028556) is N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide is Cc1cc2nc(C)n(CC(=O)Nc3ccc4c(c3)OCO4)c2cc1C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
The InChIKey is PCPGJGJRBAKHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-11-6-15-16(7-12(11)2)22(13(3)20-15)9-19(23)21-14-4-5-17-18(8-14)25-10-24-17/h4-8H,9-10H2,1-3H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 17028556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).