1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one

C16H20N2O2 — CID 107176513

IUPAC1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one
SMILESCC1CCCC1C(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C16H20N2O2/c1-10-5-4-6-12(10)15(19)11-7-8-13-14(9-11)18(3)16(20)17(13)2/h7-10,12H,4-6H2,1-3H3
InChIKeyVJTCFQKTRGUBSI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.50
Rot. Bonds2

About 1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one

1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one (PubChem CID 107176513) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one
PubChem CID107176513
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one
SMILESCC1CCCC1C(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C16H20N2O2/c1-10-5-4-6-12(10)15(19)11-7-8-13-14(9-11)18(3)16(20)17(13)2/h7-10,12H,4-6H2,1-3H3
InChIKeyVJTCFQKTRGUBSI-UHFFFAOYSA-N
XLogP2.50
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one (CID 107176513) is 1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one is CC1CCCC1C(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one?
The InChIKey is VJTCFQKTRGUBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-5-4-6-12(10)15(19)11-7-8-13-14(9-11)18(3)16(20)17(13)2/h7-10,12H,4-6H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one?
1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one is sourced from PubChem (CID 107176513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).