6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one

C15H21N3O — CID 117207368

IUPAC6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
SMILESCc1ccc2c(c1)[nH]c(=O)n2CC1CCCN(C)C1
InChIInChI=1S/C15H21N3O/c1-11-5-6-14-13(8-11)16-15(19)18(14)10-12-4-3-7-17(2)9-12/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,16,19)
InChIKeyHMJGRTXYXRDGQR-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.98
Rot. Bonds2

About 6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one

6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one (PubChem CID 117207368) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
PubChem CID117207368
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
SMILESCc1ccc2c(c1)[nH]c(=O)n2CC1CCCN(C)C1
InChIInChI=1S/C15H21N3O/c1-11-5-6-14-13(8-11)16-15(19)18(14)10-12-4-3-7-17(2)9-12/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,16,19)
InChIKeyHMJGRTXYXRDGQR-UHFFFAOYSA-N
XLogP1.98
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,1-dioxothian-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one
CID 117207114
5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117208118
3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one
CID 117207118
bromoethane;1-ethyl-3-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-one;3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 159921530
6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one
CID 117207011
3-[(1-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208899
3-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-benzimidazol-2-one
CID 117207857
3-butyl-6-methyl-1H-benzimidazol-2-one
CID 139627859
5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117207858
3-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-benzimidazol-2-one
CID 12972134
3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one
CID 59144622
6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one
CID 67560491

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one (CID 117207368) is 6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one is Cc1ccc2c(c1)[nH]c(=O)n2CC1CCCN(C)C1.
What is the InChIKey of 6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one?
The InChIKey is HMJGRTXYXRDGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-5-6-14-13(8-11)16-15(19)18(14)10-12-4-3-7-17(2)9-12/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,16,19).
What are the key properties of 6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one?
6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117207368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).