7-(1-hydroxypropyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C18H18N2O2 — CID 161069194

IUPAC7-(1-hydroxypropyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCCC(O)c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2
InChIInChI=1S/C18H18N2O2/c1-2-16(21)13-8-9-15-14(10-13)18(19-11-17(22)20-15)12-6-4-3-5-7-12/h3-10,16,21H,2,11H2,1H3,(H,20,22)
InChIKeyUEKXIMLUZGOVJQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.92
Rot. Bonds3

About 7-(1-hydroxypropyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

7-(1-hydroxypropyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 161069194) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 7-(1-hydroxypropyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-(1-hydroxypropyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID161069194
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name7-(1-hydroxypropyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCCC(O)c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2
InChIInChI=1S/C18H18N2O2/c1-2-16(21)13-8-9-15-14(10-13)18(19-11-17(22)20-15)12-6-4-3-5-7-12/h3-10,16,21H,2,11H2,1H3,(H,20,22)
InChIKeyUEKXIMLUZGOVJQ-UHFFFAOYSA-N
XLogP2.92
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride
CID 163994713
7-fluoro-5-(4-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 161006111
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;methylcyclopropane
CID 169181138
7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 4506
Nitrazepam sodium
CID 176507617
7-[(4-chlorophenyl)-imidazol-1-ylmethyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 69019508
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 24788422
7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 59966583
7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23275338
9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 138736880
7-chloro-5-(3-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 12522161

Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxypropyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-(1-hydroxypropyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 161069194) is 7-(1-hydroxypropyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-(1-hydroxypropyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-(1-hydroxypropyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is CCC(O)c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2.
What is the InChIKey of 7-(1-hydroxypropyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is UEKXIMLUZGOVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-16(21)13-8-9-15-14(10-13)18(19-11-17(22)20-15)12-6-4-3-5-7-12/h3-10,16,21H,2,11H2,1H3,(H,20,22).
What are the key properties of 7-(1-hydroxypropyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
7-(1-hydroxypropyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 294.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxypropyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 161069194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).