3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one

C17H24N2O — CID 115781923

IUPAC3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
SMILESCCCC(C)C(=O)Cc1nc2ccccc2n1CCC
InChIInChI=1S/C17H24N2O/c1-4-8-13(3)16(20)12-17-18-14-9-6-7-10-15(14)19(17)11-5-2/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3
InChIKeyCHFAOIPKWKXCGL-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.99
Rot. Bonds7

About 3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one

3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one (PubChem CID 115781923) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one.

Molecular Properties

Compound Name3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
PubChem CID115781923
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
SMILESCCCC(C)C(=O)Cc1nc2ccccc2n1CCC
InChIInChI=1S/C17H24N2O/c1-4-8-13(3)16(20)12-17-18-14-9-6-7-10-15(14)19(17)11-5-2/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3
InChIKeyCHFAOIPKWKXCGL-UHFFFAOYSA-N
XLogP3.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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

5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 116595070
3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 103453160
3-methylsulfonyl-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 115781898
1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one
CID 115782747
4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 116550850
1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one
CID 116587001
4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 79754432
1-(1-ethylbenzimidazol-2-yl)-3-methoxyhexan-2-one
CID 116708087
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone
CID 102923180
1-(1-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 115781900
7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one
CID 116574212

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one?
The IUPAC name of 3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one (CID 115781923) is 3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one.
What is the SMILES notation for 3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one?
The canonical SMILES for 3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one is CCCC(C)C(=O)Cc1nc2ccccc2n1CCC.
What is the InChIKey of 3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one?
The InChIKey is CHFAOIPKWKXCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-8-13(3)16(20)12-17-18-14-9-6-7-10-15(14)19(17)11-5-2/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3.
What are the key properties of 3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one?
3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one has a molecular weight of 272.39 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one is sourced from PubChem (CID 115781923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).