1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea

C21H17ClN4O — CID 10068140

IUPAC1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea
SMILESO=C(NCc1ccccc1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C21H17ClN4O/c22-18-12-19-17(11-16(18)15-9-5-2-6-10-15)20(26-25-19)24-21(27)23-13-14-7-3-1-4-8-14/h1-12H,13H2,(H3,23,24,25,26,27)
InChIKeyUVCFBJVBEUPOCR-UHFFFAOYSA-N
MW376.85 g/mol
LogP5.20
Rot. Bonds4

About 1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea

1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea (PubChem CID 10068140) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea
PubChem CID10068140
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea
SMILESO=C(NCc1ccccc1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C21H17ClN4O/c22-18-12-19-17(11-16(18)15-9-5-2-6-10-15)20(26-25-19)24-21(27)23-13-14-7-3-1-4-8-14/h1-12H,13H2,(H3,23,24,25,26,27)
InChIKeyUVCFBJVBEUPOCR-UHFFFAOYSA-N
XLogP5.20
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.85
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea?
The IUPAC name of 1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea (CID 10068140) is 1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea.
What is the SMILES notation for 1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea?
The canonical SMILES for 1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea is O=C(NCc1ccccc1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.
What is the InChIKey of 1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea?
The InChIKey is UVCFBJVBEUPOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-18-12-19-17(11-16(18)15-9-5-2-6-10-15)20(26-25-19)24-21(27)23-13-14-7-3-1-4-8-14/h1-12H,13H2,(H3,23,24,25,26,27).
What are the key properties of 1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea?
1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea has a molecular weight of 376.85 g/mol, XLogP of 5.20, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea is sourced from PubChem (CID 10068140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).