N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)acetamide

C14H19N3O3 — CID 127044332

IUPACN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1OC(C)C)n(C)c(=O)n2C
InChIInChI=1S/C14H19N3O3/c1-8(2)20-13-7-12-11(6-10(13)15-9(3)18)16(4)14(19)17(12)5/h6-8H,1-5H3,(H,15,18)
InChIKeyIWGPDGHLBXUEOR-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.62
Rot. Bonds3

About N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)acetamide

N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)acetamide (PubChem CID 127044332) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)acetamide
PubChem CID127044332
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1OC(C)C)n(C)c(=O)n2C
InChIInChI=1S/C14H19N3O3/c1-8(2)20-13-7-12-11(6-10(13)15-9(3)18)16(4)14(19)17(12)5/h6-8H,1-5H3,(H,15,18)
InChIKeyIWGPDGHLBXUEOR-UHFFFAOYSA-N
XLogP1.62
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)acetamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)acetamide (CID 127044332) is N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)acetamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)acetamide is CC(=O)Nc1cc2c(cc1OC(C)C)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)acetamide?
The InChIKey is IWGPDGHLBXUEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8(2)20-13-7-12-11(6-10(13)15-9(3)18)16(4)14(19)17(12)5/h6-8H,1-5H3,(H,15,18).
What are the key properties of N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)acetamide?
N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)acetamide is sourced from PubChem (CID 127044332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).