2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide

C15H19N3O3 — CID 18525451

IUPAC2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cnc2cc3c(cc21)OCCCO3
InChIInChI=1S/C15H19N3O3/c1-10(2)17-15(19)8-18-9-16-11-6-13-14(7-12(11)18)21-5-3-4-20-13/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,19)
InChIKeyLIOVEXUQKRQPJM-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.72
Rot. Bonds3

About 2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide

2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide (PubChem CID 18525451) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide
PubChem CID18525451
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cnc2cc3c(cc21)OCCCO3
InChIInChI=1S/C15H19N3O3/c1-10(2)17-15(19)8-18-9-16-11-6-13-14(7-12(11)18)21-5-3-4-20-13/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,19)
InChIKeyLIOVEXUQKRQPJM-UHFFFAOYSA-N
XLogP1.72
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide with MolForge

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Related Compounds

N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
CID 95060738
2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17028490
N-(4-chlorophenyl)-2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide
CID 18525466
2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide
CID 53046869
2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 95060745
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide
CID 41209230
2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 31808023
2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 51865491
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-[2-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]acetamide
CID 95062313
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-propan-2-ylacetamide
CID 694655
N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 17028491
N-[2-(benzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 47069226

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide (CID 18525451) is 2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cnc2cc3c(cc21)OCCCO3.
What is the InChIKey of 2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide?
The InChIKey is LIOVEXUQKRQPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)17-15(19)8-18-9-16-11-6-13-14(7-12(11)18)21-5-3-4-20-13/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,19).
What are the key properties of 2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide?
2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide has a molecular weight of 289.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 18525451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).