1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one

C24H20N2O3 — CID 19432598

IUPAC1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCOc1ccc(C(=O)CN2C(=O)CN=C(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C24H20N2O3/c1-29-19-13-11-17(12-14-19)22(27)16-26-21-10-6-5-9-20(21)24(25-15-23(26)28)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
InChIKeyZEGQMPPUKDZHOG-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.76
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one

1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one (PubChem CID 19432598) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
PubChem CID19432598
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCOc1ccc(C(=O)CN2C(=O)CN=C(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C24H20N2O3/c1-29-19-13-11-17(12-14-19)22(27)16-26-21-10-6-5-9-20(21)24(25-15-23(26)28)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
InChIKeyZEGQMPPUKDZHOG-UHFFFAOYSA-N
XLogP3.76
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one
CID 1169734
7-chloro-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 50852055
N-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
CID 4231093
1-acetyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 12570850
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
CID 135777384
1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-(3-methylphenyl)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[2,3-e][1,4]diazepin-2-one
CID 1169730
1-[2-(4-chlorophenyl)-2-oxoethyl]-5-(4-methoxyphenyl)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[2,3-e][1,4]diazepin-2-one
CID 1173752
(2S)-2-(4-methoxyphenyl)-5-phenacyl-2,3-dihydro-1,5-benzothiazepin-4-one
CID 40504768
ethyl 2-(7,8-diethoxy-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate
CID 86760520
1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 15993697
1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one
CID 3613551
ethyl 6-(4-methoxyphenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 53465604

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one (CID 19432598) is 1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one is COc1ccc(C(=O)CN2C(=O)CN=C(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is ZEGQMPPUKDZHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-29-19-13-11-17(12-14-19)22(27)16-26-21-10-6-5-9-20(21)24(25-15-23(26)28)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 384.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 19432598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).