4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one

C17H24N2O — CID 79754432

IUPAC4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
SMILESCCCn1c(CC(=O)CC(C)(C)C)nc2ccccc21
InChIInChI=1S/C17H24N2O/c1-5-10-19-15-9-7-6-8-14(15)18-16(19)11-13(20)12-17(2,3)4/h6-9H,5,10-12H2,1-4H3
InChIKeyMCEKIJHGNHXELW-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.99
Rot. Bonds5

About 4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one

4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one (PubChem CID 79754432) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
PubChem CID79754432
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
SMILESCCCn1c(CC(=O)CC(C)(C)C)nc2ccccc21
InChIInChI=1S/C17H24N2O/c1-5-10-19-15-9-7-6-8-14(15)18-16(19)11-13(20)12-17(2,3)4/h6-9H,5,10-12H2,1-4H3
InChIKeyMCEKIJHGNHXELW-UHFFFAOYSA-N
XLogP3.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 116550850
1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one
CID 116591103
6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 116572144
2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid
CID 79753577
7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one
CID 116550162
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 103453160
3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 115781923
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone
CID 102923180
1-(1-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 115781900

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one?
The IUPAC name of 4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one (CID 79754432) is 4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one.
What is the SMILES notation for 4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one?
The canonical SMILES for 4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one is CCCn1c(CC(=O)CC(C)(C)C)nc2ccccc21.
What is the InChIKey of 4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one?
The InChIKey is MCEKIJHGNHXELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-10-19-15-9-7-6-8-14(15)18-16(19)11-13(20)12-17(2,3)4/h6-9H,5,10-12H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one?
4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one has a molecular weight of 272.39 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one is sourced from PubChem (CID 79754432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).