5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1,3-dihydrobenzimidazol-2-one

C13H15N3O — CID 164752975

IUPAC5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCC1CC=C(c2ccc3[nH]c(=O)[nH]c3c2)NC1
InChIInChI=1S/C13H15N3O/c1-8-2-4-10(14-7-8)9-3-5-11-12(6-9)16-13(17)15-11/h3-6,8,14H,2,7H2,1H3,(H2,15,16,17)
InChIKeyWKTKNIQUJUFDQU-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.83
Rot. Bonds1

About 5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1,3-dihydrobenzimidazol-2-one

5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 164752975) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID164752975
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCC1CC=C(c2ccc3[nH]c(=O)[nH]c3c2)NC1
InChIInChI=1S/C13H15N3O/c1-8-2-4-10(14-7-8)9-3-5-11-12(6-9)16-13(17)15-11/h3-6,8,14H,2,7H2,1H3,(H2,15,16,17)
InChIKeyWKTKNIQUJUFDQU-UHFFFAOYSA-N
XLogP1.83
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline
CID 175802649
5-(2-methyl-5-nitrosophenyl)-1,3-dihydrobenzimidazol-2-one
CID 89060824
5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazole
CID 164753147
ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 144951341
ethane;5-methyl-1,3-dihydrobenzimidazol-2-one
CID 90978639
5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 116903807
5-(2-propan-2-yloxyphenyl)-1,3-dihydrobenzimidazol-2-one
CID 122656724
5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one
CID 122656499
5-arsoroso-1,3-dihydrobenzimidazol-2-one;hydrate
CID 90675301
5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 116973198
5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 82385180
5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 53496350

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1,3-dihydrobenzimidazol-2-one (CID 164752975) is 5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1,3-dihydrobenzimidazol-2-one is CC1CC=C(c2ccc3[nH]c(=O)[nH]c3c2)NC1.
What is the InChIKey of 5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is WKTKNIQUJUFDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-2-4-10(14-7-8)9-3-5-11-12(6-9)16-13(17)15-11/h3-6,8,14H,2,7H2,1H3,(H2,15,16,17).
What are the key properties of 5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1,3-dihydrobenzimidazol-2-one?
5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.83, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 164752975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).