6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one

C13H17N3O — CID 117207011

IUPAC6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one
SMILESCc1ccc2c(c1)[nH]c(=O)n2C1CCN(C)C1
InChIInChI=1S/C13H17N3O/c1-9-3-4-12-11(7-9)14-13(17)16(12)10-5-6-15(2)8-10/h3-4,7,10H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyLZPKJAFBMJGCIT-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.51
Rot. Bonds1

About 6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one

6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one (PubChem CID 117207011) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one
PubChem CID117207011
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one
SMILESCc1ccc2c(c1)[nH]c(=O)n2C1CCN(C)C1
InChIInChI=1S/C13H17N3O/c1-9-3-4-12-11(7-9)14-13(17)16(12)10-5-6-15(2)8-10/h3-4,7,10H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyLZPKJAFBMJGCIT-UHFFFAOYSA-N
XLogP1.51
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one
CID 117207172
7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261515
6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 68633558
6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 139785898
6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117207368
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
5-methyl-3-[1-(oxan-4-yl)pyrrolidin-3-yl]-1H-benzimidazol-2-one;hydrochloride
CID 69173233
3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one
CID 145484811
1-(1,3-dimethylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 114504427
1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one
CID 139785963
6-tert-butyl-3-[1-(1H-pyrrol-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 141196676
3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen
CID 144928816

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one?
The IUPAC name of 6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one (CID 117207011) is 6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one is Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(C)C1.
What is the InChIKey of 6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one?
The InChIKey is LZPKJAFBMJGCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-3-4-12-11(7-9)14-13(17)16(12)10-5-6-15(2)8-10/h3-4,7,10H,5-6,8H2,1-2H3,(H,14,17).
What are the key properties of 6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one?
6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117207011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).