3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one

C15H20N2O2 — CID 103453160

IUPAC3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one
SMILESCCCn1c(CC(=O)C(O)CC)nc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-3-9-17-12-8-6-5-7-11(12)16-15(17)10-14(19)13(18)4-2/h5-8,13,18H,3-4,9-10H2,1-2H3
InChIKeyXCEYYYCQCCQFRA-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.33
Rot. Bonds6

About 3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one

3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one (PubChem CID 103453160) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one
PubChem CID103453160
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one
SMILESCCCn1c(CC(=O)C(O)CC)nc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-3-9-17-12-8-6-5-7-11(12)16-15(17)10-14(19)13(18)4-2/h5-8,13,18H,3-4,9-10H2,1-2H3
InChIKeyXCEYYYCQCCQFRA-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 115781923
3-methylsulfonyl-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 115781898
5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 116595070
4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 116550850
4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 79754432
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one
CID 115782747
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone
CID 102923180
1-(1-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 115781900
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

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one?
The IUPAC name of 3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one (CID 103453160) is 3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one.
What is the SMILES notation for 3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one?
The canonical SMILES for 3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one is CCCn1c(CC(=O)C(O)CC)nc2ccccc21.
What is the InChIKey of 3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one?
The InChIKey is XCEYYYCQCCQFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-9-17-12-8-6-5-7-11(12)16-15(17)10-14(19)13(18)4-2/h5-8,13,18H,3-4,9-10H2,1-2H3.
What are the key properties of 3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one?
3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one is sourced from PubChem (CID 103453160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).