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

C22H17ClN4O2 — CID 5279169

IUPAC1-(4-chlorophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C22H17ClN4O2/c23-15-10-12-16(13-11-15)24-22(29)27-20-21(28)25-18-9-5-4-8-17(18)19(26-20)14-6-2-1-3-7-14/h1-13,20H,(H,25,28)(H2,24,27,29)
InChIKeyLJCDYOZXZSZCAO-UHFFFAOYSA-N
MW404.86 g/mol
LogP4.28
Rot. Bonds3

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

1-(4-chlorophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea (PubChem CID 5279169) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea
PubChem CID5279169
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC Name1-(4-chlorophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C22H17ClN4O2/c23-15-10-12-16(13-11-15)24-22(29)27-20-21(28)25-18-9-5-4-8-17(18)19(26-20)14-6-2-1-3-7-14/h1-13,20H,(H,25,28)(H2,24,27,29)
InChIKeyLJCDYOZXZSZCAO-UHFFFAOYSA-N
XLogP4.28
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea (CID 5279169) is 1-(4-chlorophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea is O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2NC1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea?
The InChIKey is LJCDYOZXZSZCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c23-15-10-12-16(13-11-15)24-22(29)27-20-21(28)25-18-9-5-4-8-17(18)19(26-20)14-6-2-1-3-7-14/h1-13,20H,(H,25,28)(H2,24,27,29).
What are the key properties of 1-(4-chlorophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea?
1-(4-chlorophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea has a molecular weight of 404.86 g/mol, XLogP of 4.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea is sourced from PubChem (CID 5279169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).