1-[2-hydroxy-5-methyl-3-(5-methylbenzotriazol-2-yl)phenyl]-3-(3-methylphenyl)urea

C22H21N5O2 — CID 139814839

IUPAC1-[2-hydroxy-5-methyl-3-(5-methylbenzotriazol-2-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cc(C)cc(-n3nc4ccc(C)cc4n3)c2O)c1
InChIInChI=1S/C22H21N5O2/c1-13-5-4-6-16(9-13)23-22(29)24-19-11-15(3)12-20(21(19)28)27-25-17-8-7-14(2)10-18(17)26-27/h4-12,28H,1-3H3,(H2,23,24,29)
InChIKeyCJOWNOLHWKNHQY-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.70
Rot. Bonds3

About 1-[2-hydroxy-5-methyl-3-(5-methylbenzotriazol-2-yl)phenyl]-3-(3-methylphenyl)urea

1-[2-hydroxy-5-methyl-3-(5-methylbenzotriazol-2-yl)phenyl]-3-(3-methylphenyl)urea (PubChem CID 139814839) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-[2-hydroxy-5-methyl-3-(5-methylbenzotriazol-2-yl)phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-5-methyl-3-(5-methylbenzotriazol-2-yl)phenyl]-3-(3-methylphenyl)urea
PubChem CID139814839
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name1-[2-hydroxy-5-methyl-3-(5-methylbenzotriazol-2-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cc(C)cc(-n3nc4ccc(C)cc4n3)c2O)c1
InChIInChI=1S/C22H21N5O2/c1-13-5-4-6-16(9-13)23-22(29)24-19-11-15(3)12-20(21(19)28)27-25-17-8-7-14(2)10-18(17)26-27/h4-12,28H,1-3H3,(H2,23,24,29)
InChIKeyCJOWNOLHWKNHQY-UHFFFAOYSA-N
XLogP4.70
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-[5-tert-butyl-2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 139814834
1-[2-hydroxy-3-(5-methylbenzotriazol-2-yl)-5-(2-methylbutan-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 139814813
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-cyanoacetamide
CID 168521196
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-3-phenylurea
CID 137167471
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
N-[2-(2-hydroxy-3,5-dimethylphenyl)benzotriazol-5-yl]-3-oxobutanamide
CID 14274283
5-methyl-2-(5-methylbenzotriazol-2-yl)phenol
CID 54003664
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid
CID 61193250
1-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenyl)urea
CID 166636712

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-methyl-3-(5-methylbenzotriazol-2-yl)phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[2-hydroxy-5-methyl-3-(5-methylbenzotriazol-2-yl)phenyl]-3-(3-methylphenyl)urea (CID 139814839) is 1-[2-hydroxy-5-methyl-3-(5-methylbenzotriazol-2-yl)phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[2-hydroxy-5-methyl-3-(5-methylbenzotriazol-2-yl)phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[2-hydroxy-5-methyl-3-(5-methylbenzotriazol-2-yl)phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2cc(C)cc(-n3nc4ccc(C)cc4n3)c2O)c1.
What is the InChIKey of 1-[2-hydroxy-5-methyl-3-(5-methylbenzotriazol-2-yl)phenyl]-3-(3-methylphenyl)urea?
The InChIKey is CJOWNOLHWKNHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-13-5-4-6-16(9-13)23-22(29)24-19-11-15(3)12-20(21(19)28)27-25-17-8-7-14(2)10-18(17)26-27/h4-12,28H,1-3H3,(H2,23,24,29).
What are the key properties of 1-[2-hydroxy-5-methyl-3-(5-methylbenzotriazol-2-yl)phenyl]-3-(3-methylphenyl)urea?
1-[2-hydroxy-5-methyl-3-(5-methylbenzotriazol-2-yl)phenyl]-3-(3-methylphenyl)urea has a molecular weight of 387.44 g/mol, XLogP of 4.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-methyl-3-(5-methylbenzotriazol-2-yl)phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 139814839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).