1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea

C16H13BrN4O — CID 108905169

IUPAC1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea
SMILESO=C(N/C=C/c1ccccc1Br)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C16H13BrN4O/c17-14-4-2-1-3-11(14)7-8-18-16(22)20-13-6-5-12-10-19-21-15(12)9-13/h1-10H,(H,19,21)(H2,18,20,22)/b8-7+
InChIKeyJBYWHLUDUQQHNJ-BQYQJAHWSA-N
MW357.21 g/mol
LogP4.12
Rot. Bonds3

About 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea

1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea (PubChem CID 108905169) has the molecular formula C16H13BrN4O and a molecular weight of 357.21 g/mol. Its IUPAC name is 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea.

Molecular Properties

Compound Name1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea
PubChem CID108905169
Molecular FormulaC16H13BrN4O
Molecular Weight357.21 g/mol
Exact Mass356.03
IUPAC Name1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea
SMILESO=C(N/C=C/c1ccccc1Br)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C16H13BrN4O/c17-14-4-2-1-3-11(14)7-8-18-16(22)20-13-6-5-12-10-19-21-15(12)9-13/h1-10H,(H,19,21)(H2,18,20,22)/b8-7+
InChIKeyJBYWHLUDUQQHNJ-BQYQJAHWSA-N
XLogP4.12
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(1H-indazol-6-yl)urea
CID 108904426
1-[(E)-2-cyclopropylethenyl]-3-(1H-indazol-6-yl)urea
CID 108915904
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide
CID 108530119
1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea
CID 108912229
1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108905244
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea
CID 108885965
1-(1H-indazol-6-yl)-3-(2-phenylethyl)urea
CID 71655790
1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide
CID 66464887
1-(furan-2-yl)-3-(1H-indazol-6-yl)urea
CID 108868544

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea?
The IUPAC name of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea (CID 108905169) is 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea.
What is the SMILES notation for 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea?
The canonical SMILES for 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea is O=C(N/C=C/c1ccccc1Br)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea?
The InChIKey is JBYWHLUDUQQHNJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H13BrN4O/c17-14-4-2-1-3-11(14)7-8-18-16(22)20-13-6-5-12-10-19-21-15(12)9-13/h1-10H,(H,19,21)(H2,18,20,22)/b8-7+.
What are the key properties of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea?
1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea has a molecular weight of 357.21 g/mol, XLogP of 4.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea is sourced from PubChem (CID 108905169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).