5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one

C19H20N2O2 — CID 101452406

IUPAC5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOc1cccc(C2=NC(C(C)C)C(=O)Nc3ccccc32)c1
InChIInChI=1S/C19H20N2O2/c1-12(2)17-19(22)20-16-10-5-4-9-15(16)18(21-17)13-7-6-8-14(11-13)23-3/h4-12,17H,1-3H3,(H,20,22)
InChIKeyVMSANQNTWOQLTG-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.51
Rot. Bonds3

About 5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one

5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 101452406) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID101452406
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOc1cccc(C2=NC(C(C)C)C(=O)Nc3ccccc32)c1
InChIInChI=1S/C19H20N2O2/c1-12(2)17-19(22)20-16-10-5-4-9-15(16)18(21-17)13-7-6-8-14(11-13)23-3/h4-12,17H,1-3H3,(H,20,22)
InChIKeyVMSANQNTWOQLTG-UHFFFAOYSA-N
XLogP3.51
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-3-propan-2-yl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 139414018
1-ethyl-5-(3-methoxyphenyl)-3-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one
CID 10360545
3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide
CID 18917698
5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione
CID 82171043
[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate
CID 950560
3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 11659534
7-chloro-5-(3-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 12522161
1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene
CID 151214684
2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953186
(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) cyanate
CID 134461148
3-[2-(3-methoxyphenyl)-6-nitro-1H-indol-3-yl]-1H-quinoline-2,4-dione
CID 146001362
3-(3-methoxyphenyl)indeno[1,2-c]pyridazin-5-one
CID 10469356

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 101452406) is 5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one is COc1cccc(C2=NC(C(C)C)C(=O)Nc3ccccc32)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is VMSANQNTWOQLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12(2)17-19(22)20-16-10-5-4-9-15(16)18(21-17)13-7-6-8-14(11-13)23-3/h4-12,17H,1-3H3,(H,20,22).
What are the key properties of 5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one?
5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 101452406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).