2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide

C20H24N4O3 — CID 71701696

IUPAC2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
SMILESCc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)nc(C(C)C)n3C)cn1C
InChIInChI=1S/C20H24N4O3/c1-12(2)20-22-15-9-14(6-7-16(15)24(20)5)21-19(26)11-27-18-10-23(4)13(3)8-17(18)25/h6-10,12H,11H2,1-5H3,(H,21,26)
InChIKeyMVGCRBNFYYMCQF-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.72
Rot. Bonds5

About 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide

2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide (PubChem CID 71701696) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
PubChem CID71701696
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
SMILESCc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)nc(C(C)C)n3C)cn1C
InChIInChI=1S/C20H24N4O3/c1-12(2)20-22-15-9-14(6-7-16(15)24(20)5)21-19(26)11-27-18-10-23(4)13(3)8-17(18)25/h6-10,12H,11H2,1-5H3,(H,21,26)
InChIKeyMVGCRBNFYYMCQF-UHFFFAOYSA-N
XLogP2.72
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide with MolForge

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Related Compounds

2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide
CID 125431781
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 71708390
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide
CID 125431718
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide
CID 110793268
2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 46969733
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 71702507
1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea
CID 110774752
2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide
CID 50751924
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 71754894
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
CID 110779354
2-(2-methylphenoxy)-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]acetamide
CID 53207578
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373

Frequently Asked Questions

What is the IUPAC name of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide (CID 71701696) is 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide is Cc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)nc(C(C)C)n3C)cn1C.
What is the InChIKey of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide?
The InChIKey is MVGCRBNFYYMCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12(2)20-22-15-9-14(6-7-16(15)24(20)5)21-19(26)11-27-18-10-23(4)13(3)8-17(18)25/h6-10,12H,11H2,1-5H3,(H,21,26).
What are the key properties of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide?
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 71701696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).