1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one

C13H17N3O2 — CID 82498508

IUPAC1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one
SMILESCNCCC(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C13H17N3O2/c1-14-7-6-12(17)9-4-5-10-11(8-9)16(3)13(18)15(10)2/h4-5,8,14H,6-7H2,1-3H3
InChIKeyZEUCWMZSZHNNDS-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.67
Rot. Bonds4

About 1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one

1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one (PubChem CID 82498508) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one
PubChem CID82498508
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one
SMILESCNCCC(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C13H17N3O2/c1-14-7-6-12(17)9-4-5-10-11(8-9)16(3)13(18)15(10)2/h4-5,8,14H,6-7H2,1-3H3
InChIKeyZEUCWMZSZHNNDS-UHFFFAOYSA-N
XLogP0.67
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[3-(methylamino)propanoyl]-1,3-benzoxazol-2-one
CID 82496255
1,3-dimethyl-5-octanoylbenzimidazol-2-one
CID 62298843
2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid
CID 62300427
1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one
CID 114874045
3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one
CID 96677452
methyl 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoacetate
CID 112616455
3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one
CID 116915455
N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
CID 110765410
5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-1,3-dimethylbenzimidazol-2-one
CID 11575101
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one
CID 96677057
5-[(2S)-2-chloropropanoyl]-1,3-dimethylbenzimidazol-2-one
CID 42157586
3-(methylamino)-1-(3-methylphenyl)propan-1-one
CID 83695895

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one (CID 82498508) is 1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one is CNCCC(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one?
The InChIKey is ZEUCWMZSZHNNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-14-7-6-12(17)9-4-5-10-11(8-9)16(3)13(18)15(10)2/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one?
1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one is sourced from PubChem (CID 82498508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).