4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one

C14H19N3O — CID 116910560

IUPAC4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one
SMILESCC(=O)CC(c1ccc2nc(C)[nH]c2c1)N(C)C
InChIInChI=1S/C14H19N3O/c1-9(18)7-14(17(3)4)11-5-6-12-13(8-11)16-10(2)15-12/h5-6,8,14H,7H2,1-4H3,(H,15,16)
InChIKeyUMXICQZGDXGXPZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.45
Rot. Bonds4

About 4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one

4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one (PubChem CID 116910560) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one
PubChem CID116910560
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one
SMILESCC(=O)CC(c1ccc2nc(C)[nH]c2c1)N(C)C
InChIInChI=1S/C14H19N3O/c1-9(18)7-14(17(3)4)11-5-6-12-13(8-11)16-10(2)15-12/h5-6,8,14H,7H2,1-4H3,(H,15,16)
InChIKeyUMXICQZGDXGXPZ-UHFFFAOYSA-N
XLogP2.45
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 116857134
2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116914786
5-[1-(dimethylamino)-3-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 116910558
3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116850693
3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide
CID 116849707
3,4-diamino-4-(2-methyl-3H-benzimidazol-5-yl)butanoic acid
CID 116942840
2-(methylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116961662
ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 117340177
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol
CID 116954709
2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile
CID 116909830
1-(2-methyl-3H-benzimidazol-5-yl)propane-1,2,3-triol
CID 170818053

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one?
The IUPAC name of 4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one (CID 116910560) is 4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one.
What is the SMILES notation for 4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one?
The canonical SMILES for 4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one is CC(=O)CC(c1ccc2nc(C)[nH]c2c1)N(C)C.
What is the InChIKey of 4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one?
The InChIKey is UMXICQZGDXGXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(18)7-14(17(3)4)11-5-6-12-13(8-11)16-10(2)15-12/h5-6,8,14H,7H2,1-4H3,(H,15,16).
What are the key properties of 4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one?
4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one has a molecular weight of 245.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one is sourced from PubChem (CID 116910560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).