1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylurea

C23H20N4O2 — CID 10452597

IUPAC1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylurea
SMILESCN1C(=O)C(NC(=O)Nc2ccccc2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C23H20N4O2/c1-27-19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)25-21(22(27)28)26-23(29)24-17-12-6-3-7-13-17/h2-15,21H,1H3,(H2,24,26,29)
InChIKeyNMMBVQWYWVQIEA-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.65
Rot. Bonds3

About 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylurea

1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylurea (PubChem CID 10452597) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylurea
PubChem CID10452597
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylurea
SMILESCN1C(=O)C(NC(=O)Nc2ccccc2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C23H20N4O2/c1-27-19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)25-21(22(27)28)26-23(29)24-17-12-6-3-7-13-17/h2-15,21H,1H3,(H2,24,26,29)
InChIKeyNMMBVQWYWVQIEA-UHFFFAOYSA-N
XLogP3.65
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

YM 022
CID 122130
L 365260
CID 5311201
1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
CID 5279172
Bms 906024
CID 66550890
RO-05-2921
CID 76175
L 735821
CID 5282279
L 768673
CID 9851380
L 740093
CID 132980
L-736380
CID 9935175
1-((R)-5-Cyclohexyl-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
CID 9953071
Compound E
CID 11306390
1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 613843

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylurea?
The IUPAC name of 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylurea (CID 10452597) is 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylurea?
The canonical SMILES for 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylurea is CN1C(=O)C(NC(=O)Nc2ccccc2)N=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylurea?
The InChIKey is NMMBVQWYWVQIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-27-19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)25-21(22(27)28)26-23(29)24-17-12-6-3-7-13-17/h2-15,21H,1H3,(H2,24,26,29).
What are the key properties of 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylurea?
1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylurea has a molecular weight of 384.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylurea is sourced from PubChem (CID 10452597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).