7-hydroxy-1,5-dimethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one

C15H20N2O2 — CID 10635098

IUPAC7-hydroxy-1,5-dimethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one
SMILESCC1=NC(CC(C)C)C(=O)N(C)c2ccc(O)cc21
InChIInChI=1S/C15H20N2O2/c1-9(2)7-13-15(19)17(4)14-6-5-11(18)8-12(14)10(3)16-13/h5-6,8-9,13,18H,7H2,1-4H3
InChIKeyBLCCYAMBTNSBLW-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.59
Rot. Bonds2

About 7-hydroxy-1,5-dimethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one

7-hydroxy-1,5-dimethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one (PubChem CID 10635098) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 7-hydroxy-1,5-dimethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-hydroxy-1,5-dimethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one
PubChem CID10635098
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name7-hydroxy-1,5-dimethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one
SMILESCC1=NC(CC(C)C)C(=O)N(C)c2ccc(O)cc21
InChIInChI=1S/C15H20N2O2/c1-9(2)7-13-15(19)17(4)14-6-5-11(18)8-12(14)10(3)16-13/h5-6,8-9,13,18H,7H2,1-4H3
InChIKeyBLCCYAMBTNSBLW-UHFFFAOYSA-N
XLogP2.59
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1,5-dimethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-hydroxy-1,5-dimethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one (CID 10635098) is 7-hydroxy-1,5-dimethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-hydroxy-1,5-dimethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-hydroxy-1,5-dimethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one is CC1=NC(CC(C)C)C(=O)N(C)c2ccc(O)cc21.
What is the InChIKey of 7-hydroxy-1,5-dimethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one?
The InChIKey is BLCCYAMBTNSBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9(2)7-13-15(19)17(4)14-6-5-11(18)8-12(14)10(3)16-13/h5-6,8-9,13,18H,7H2,1-4H3.
What are the key properties of 7-hydroxy-1,5-dimethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one?
7-hydroxy-1,5-dimethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1,5-dimethyl-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 10635098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).