1-[(4-bromophenyl)methyl]-3-(2-methylindazol-4-yl)urea

C16H15BrN4O — CID 24768218

IUPAC1-[(4-bromophenyl)methyl]-3-(2-methylindazol-4-yl)urea
SMILESCn1cc2c(NC(=O)NCc3ccc(Br)cc3)cccc2n1
InChIInChI=1S/C16H15BrN4O/c1-21-10-13-14(3-2-4-15(13)20-21)19-16(22)18-9-11-5-7-12(17)8-6-11/h2-8,10H,9H2,1H3,(H2,18,19,22)
InChIKeyWYNHZHGMTUMLOJ-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.66
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-3-(2-methylindazol-4-yl)urea

1-[(4-bromophenyl)methyl]-3-(2-methylindazol-4-yl)urea (PubChem CID 24768218) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-(2-methylindazol-4-yl)urea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-(2-methylindazol-4-yl)urea
PubChem CID24768218
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC Name1-[(4-bromophenyl)methyl]-3-(2-methylindazol-4-yl)urea
SMILESCn1cc2c(NC(=O)NCc3ccc(Br)cc3)cccc2n1
InChIInChI=1S/C16H15BrN4O/c1-21-10-13-14(3-2-4-15(13)20-21)19-16(22)18-9-11-5-7-12(17)8-6-11/h2-8,10H,9H2,1H3,(H2,18,19,22)
InChIKeyWYNHZHGMTUMLOJ-UHFFFAOYSA-N
XLogP3.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 22337693
1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 16749467
N-(4-bromobenzyl)-N'-1H-indol-4-ylurea
CID 10172204
1-[(4-bromophenyl)methyl]-3-1H-indazol-4-ylurea
CID 22032601
N-(4-chlorobenzyl)-N'-(1-methyl-1H-indazol-4-yl)urea
CID 22337589
N-(2-bromophenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510437
N-(4-bromo-2-fluorophenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510442
1-(2-Phenylindazol-6-yl)-3-(pyridin-4-ylmethyl)urea
CID 156332915
1-[(4-bromophenyl)methyl]-3-1H-indazol-5-ylurea
CID 24768216
1-[(4-bromophenyl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 24768217
1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
CID 24777768
N-(4-phenylbutyl)indazole-1-carboxamide
CID 137649927

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-(2-methylindazol-4-yl)urea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-(2-methylindazol-4-yl)urea (CID 24768218) is 1-[(4-bromophenyl)methyl]-3-(2-methylindazol-4-yl)urea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-(2-methylindazol-4-yl)urea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-(2-methylindazol-4-yl)urea is Cn1cc2c(NC(=O)NCc3ccc(Br)cc3)cccc2n1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-(2-methylindazol-4-yl)urea?
The InChIKey is WYNHZHGMTUMLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O/c1-21-10-13-14(3-2-4-15(13)20-21)19-16(22)18-9-11-5-7-12(17)8-6-11/h2-8,10H,9H2,1H3,(H2,18,19,22).
What are the key properties of 1-[(4-bromophenyl)methyl]-3-(2-methylindazol-4-yl)urea?
1-[(4-bromophenyl)methyl]-3-(2-methylindazol-4-yl)urea has a molecular weight of 359.23 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-(2-methylindazol-4-yl)urea is sourced from PubChem (CID 24768218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).