(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)urea

C16H16N4O2 — CID 142493010

IUPAC(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)urea
SMILESNC(=O)NC1CN(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C16H16N4O2/c17-16(22)19-13-10-20(11-6-2-1-3-7-11)14-9-5-4-8-12(14)18-15(13)21/h1-9,13H,10H2,(H,18,21)(H3,17,19,22)
InChIKeyOVHMPLMCPRLGGW-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.81
Rot. Bonds2

About (2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)urea

(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)urea (PubChem CID 142493010) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)urea.

Molecular Properties

Compound Name(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)urea
PubChem CID142493010
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)urea
SMILESNC(=O)NC1CN(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C16H16N4O2/c17-16(22)19-13-10-20(11-6-2-1-3-7-11)14-9-5-4-8-12(14)18-15(13)21/h1-9,13H,10H2,(H,18,21)(H3,17,19,22)
InChIKeyOVHMPLMCPRLGGW-UHFFFAOYSA-N
XLogP1.81
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)urea?
The IUPAC name of (2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)urea (CID 142493010) is (2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)urea.
What is the SMILES notation for (2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)urea?
The canonical SMILES for (2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)urea is NC(=O)NC1CN(c2ccccc2)c2ccccc2NC1=O.
What is the InChIKey of (2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)urea?
The InChIKey is OVHMPLMCPRLGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c17-16(22)19-13-10-20(11-6-2-1-3-7-11)14-9-5-4-8-12(14)18-15(13)21/h1-9,13H,10H2,(H,18,21)(H3,17,19,22).
What are the key properties of (2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)urea?
(2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)urea has a molecular weight of 296.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)urea is sourced from PubChem (CID 142493010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).