1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea

C22H19N3O2 — CID 30375491

IUPAC1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea
SMILESO=C1Cc2cc(NC(=O)NC(c3ccccc3)c3ccccc3)ccc2N1
InChIInChI=1S/C22H19N3O2/c26-20-14-17-13-18(11-12-19(17)24-20)23-22(27)25-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,21H,14H2,(H,24,26)(H2,23,25,27)
InChIKeyJLKKNDHNAPCFLQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.09
Rot. Bonds4

About 1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea

1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea (PubChem CID 30375491) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea
PubChem CID30375491
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea
SMILESO=C1Cc2cc(NC(=O)NC(c3ccccc3)c3ccccc3)ccc2N1
InChIInChI=1S/C22H19N3O2/c26-20-14-17-13-18(11-12-19(17)24-20)23-22(27)25-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,21H,14H2,(H,24,26)(H2,23,25,27)
InChIKeyJLKKNDHNAPCFLQ-UHFFFAOYSA-N
XLogP4.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784603
1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113952
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 119281522
2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
CID 115163929
1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375542
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide;hydrochloride
CID 119281521
2-(2-fluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110777106
3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide
CID 110025383
1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376078
1-benzhydryl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871724
3-amino-2-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 115180257
N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide
CID 108867378

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The IUPAC name of 1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea (CID 30375491) is 1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea.
What is the SMILES notation for 1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The canonical SMILES for 1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea is O=C1Cc2cc(NC(=O)NC(c3ccccc3)c3ccccc3)ccc2N1.
What is the InChIKey of 1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The InChIKey is JLKKNDHNAPCFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-20-14-17-13-18(11-12-19(17)24-20)23-22(27)25-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,21H,14H2,(H,24,26)(H2,23,25,27).
What are the key properties of 1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea has a molecular weight of 357.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea is sourced from PubChem (CID 30375491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).