1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone

C16H23N3O — CID 94743219

IUPAC1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)nc(C(C)C)n2CCN(C)C
InChIInChI=1S/C16H23N3O/c1-11(2)16-17-14-10-13(12(3)20)6-7-15(14)19(16)9-8-18(4)5/h6-7,10-11H,8-9H2,1-5H3
InChIKeyVEHZNZUNPUQHER-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.92
Rot. Bonds5

About 1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone

1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone (PubChem CID 94743219) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone
PubChem CID94743219
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)nc(C(C)C)n2CCN(C)C
InChIInChI=1S/C16H23N3O/c1-11(2)16-17-14-10-13(12(3)20)6-7-15(14)19(16)9-8-18(4)5/h6-7,10-11H,8-9H2,1-5H3
InChIKeyVEHZNZUNPUQHER-UHFFFAOYSA-N
XLogP2.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]ethanone
CID 82142245
2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142232
1-butyl-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322844
3-[3-(dimethylamino)propyl]-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82769309
2-propan-2-yl-1-(3,3,3-trifluoropropyl)benzimidazole-5-carboxylic acid
CID 63227149
2-[2-(1-chloroethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82334199
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333992
1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322894
2-propan-2-yl-1-(2-sulfamoylethyl)benzimidazole-5-carboxylic acid
CID 43552592
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62640082
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine
CID 82334045
2-butan-2-yl-1-[2-(diethylamino)ethyl]benzimidazole-5-carboxylic acid
CID 46309354

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone (CID 94743219) is 1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone is CC(=O)c1ccc2c(c1)nc(C(C)C)n2CCN(C)C.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone?
The InChIKey is VEHZNZUNPUQHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)16-17-14-10-13(12(3)20)6-7-15(14)19(16)9-8-18(4)5/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone?
1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone has a molecular weight of 273.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone is sourced from PubChem (CID 94743219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).