8,15-dimethyl-N-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C33H29N3O — CID 23596287

IUPAC8,15-dimethyl-N-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCc1ccc(-c2cnc(NC(=O)C3(C)CC4(C)c5ccccc5C3c3ccccc34)[nH]2)c2ccccc12
InChIInChI=1S/C33H29N3O/c1-20-16-17-23(22-11-5-4-10-21(20)22)28-18-34-31(35-28)36-30(37)33(3)19-32(2)26-14-8-6-12-24(26)29(33)25-13-7-9-15-27(25)32/h4-18,29H,19H2,1-3H3,(H2,34,35,36,37)
InChIKeyOZICYZVCWLOKHY-UHFFFAOYSA-N
MW483.62 g/mol
LogP7.34
Rot. Bonds3

About 8,15-dimethyl-N-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

8,15-dimethyl-N-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 23596287) has the molecular formula C33H29N3O and a molecular weight of 483.62 g/mol. Its IUPAC name is 8,15-dimethyl-N-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound Name8,15-dimethyl-N-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID23596287
Molecular FormulaC33H29N3O
Molecular Weight483.62 g/mol
Exact Mass483.23
IUPAC Name8,15-dimethyl-N-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCc1ccc(-c2cnc(NC(=O)C3(C)CC4(C)c5ccccc5C3c3ccccc34)[nH]2)c2ccccc12
InChIInChI=1S/C33H29N3O/c1-20-16-17-23(22-11-5-4-10-21(20)22)28-18-34-31(35-28)36-30(37)33(3)19-32(2)26-14-8-6-12-24(26)29(33)25-13-7-9-15-27(25)32/h4-18,29H,19H2,1-3H3,(H2,34,35,36,37)
InChIKeyOZICYZVCWLOKHY-UHFFFAOYSA-N
XLogP7.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8,15-dimethyl-N-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8,15-dimethyl-N-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of 8,15-dimethyl-N-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 23596287) is 8,15-dimethyl-N-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for 8,15-dimethyl-N-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for 8,15-dimethyl-N-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is Cc1ccc(-c2cnc(NC(=O)C3(C)CC4(C)c5ccccc5C3c3ccccc34)[nH]2)c2ccccc12.
What is the InChIKey of 8,15-dimethyl-N-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is OZICYZVCWLOKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O/c1-20-16-17-23(22-11-5-4-10-21(20)22)28-18-34-31(35-28)36-30(37)33(3)19-32(2)26-14-8-6-12-24(26)29(33)25-13-7-9-15-27(25)32/h4-18,29H,19H2,1-3H3,(H2,34,35,36,37).
What are the key properties of 8,15-dimethyl-N-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
8,15-dimethyl-N-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 7.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,15-dimethyl-N-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 23596287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).