3-methyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide

C24H24N4O — CID 15987528

IUPAC3-methyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1
InChIInChI=1S/C24H24N4O/c1-15(2)18-8-10-20(11-9-18)28-26-22-13-17(4)21(14-23(22)27-28)25-24(29)19-7-5-6-16(3)12-19/h5-15H,1-4H3,(H,25,29)
InChIKeyCCHYGCIISSVKKN-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.41
Rot. Bonds4

About 3-methyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide

3-methyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide (PubChem CID 15987528) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-methyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
PubChem CID15987528
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-methyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1
InChIInChI=1S/C24H24N4O/c1-15(2)18-8-10-20(11-9-18)28-26-22-13-17(4)21(14-23(22)27-28)25-24(29)19-7-5-6-16(3)12-19/h5-15H,1-4H3,(H,25,29)
InChIKeyCCHYGCIISSVKKN-UHFFFAOYSA-N
XLogP5.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of 3-methyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide (CID 15987528) is 3-methyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for 3-methyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide is Cc1cccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1.
What is the InChIKey of 3-methyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide?
The InChIKey is CCHYGCIISSVKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-15(2)18-8-10-20(11-9-18)28-26-22-13-17(4)21(14-23(22)27-28)25-24(29)19-7-5-6-16(3)12-19/h5-15H,1-4H3,(H,25,29).
What are the key properties of 3-methyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide?
3-methyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 15987528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).