1-(2-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea

C15H15N5O2 — CID 893629

IUPAC1-(2-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc2c(c1)nnn2C
InChIInChI=1S/C15H15N5O2/c1-20-13-8-7-10(9-12(13)18-19-20)16-15(21)17-11-5-3-4-6-14(11)22-2/h3-9H,1-2H3,(H2,16,17,21)
InChIKeyOQXHJDNTOCLUMB-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.62
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea

1-(2-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea (PubChem CID 893629) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea
PubChem CID893629
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name1-(2-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc2c(c1)nnn2C
InChIInChI=1S/C15H15N5O2/c1-20-13-8-7-10(9-12(13)18-19-20)16-15(21)17-11-5-3-4-6-14(11)22-2/h3-9H,1-2H3,(H2,16,17,21)
InChIKeyOQXHJDNTOCLUMB-UHFFFAOYSA-N
XLogP2.62
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,1,3-benzoxadiazol-5-yl)-N'-(4-methoxyphenyl)urea
CID 2823086
N-(1,2-dimethyl-1H-benzimidazol-5-yl)-N'-(2-methoxyphenyl)urea
CID 893836
N-2,1,3-benzothiadiazol-5-yl-N'-(3-methoxyphenyl)urea
CID 753173
N-(2-Methoxyphenyl)-1H-benzotriazole-1-methanamine
CID 708613
N-2,1,3-benzothiadiazol-5-yl-N'-(4-ethoxyphenyl)urea
CID 753202
1-Benzo[1,2,5]thiadiazol-5-yl-3-(4-methoxy-phenyl)-urea
CID 753204
N-(4-ethoxyphenyl)-N'-(1-methyl-1H-1,2,3-benzotriazol-5-yl)urea
CID 893343
1-(3-Methoxy-phenyl)-3-(1-methyl-1H-benzotriazol-5-yl)-urea
CID 1084173
3-(2,1,3-Benzothiadiazol-5-yl)-1-(4-methoxyphenyl)-1-methylurea
CID 753167
1-(2-Methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 4885279
2-[4-(5-Fluoro-benzotriazol-1-yl)-piperidin-1-yl]-N-(2-methoxy-phenyl)-acetamide
CID 652680
1-(4-Methoxyphenyl)-1-methyl-3-(1-methyl-5-benzotriazolyl)urea
CID 893687

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea (CID 893629) is 1-(2-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea is COc1ccccc1NC(=O)Nc1ccc2c(c1)nnn2C.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea?
The InChIKey is OQXHJDNTOCLUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-20-13-8-7-10(9-12(13)18-19-20)16-15(21)17-11-5-3-4-6-14(11)22-2/h3-9H,1-2H3,(H2,16,17,21).
What are the key properties of 1-(2-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea?
1-(2-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea has a molecular weight of 297.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(1-methylbenzotriazol-5-yl)urea is sourced from PubChem (CID 893629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).