2,5-dimethyl-1-phenyl-N-(2-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide

C21H25N3O — CID 46231031

IUPAC2,5-dimethyl-1-phenyl-N-(2-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide
SMILESCc1nc(C(=O)NC2C3CC4CC(C3)C2C4)c(C)n1-c1ccccc1
InChIInChI=1S/C21H25N3O/c1-12-19(22-13(2)24(12)17-6-4-3-5-7-17)21(25)23-20-16-9-14-8-15(11-16)18(20)10-14/h3-7,14-16,18,20H,8-11H2,1-2H3,(H,23,25)
InChIKeyLNFIGJSRRJNZFD-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.65
Rot. Bonds3

About 2,5-dimethyl-1-phenyl-N-(2-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide

2,5-dimethyl-1-phenyl-N-(2-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide (PubChem CID 46231031) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenyl-N-(2-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-phenyl-N-(2-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide
PubChem CID46231031
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2,5-dimethyl-1-phenyl-N-(2-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide
SMILESCc1nc(C(=O)NC2C3CC4CC(C3)C2C4)c(C)n1-c1ccccc1
InChIInChI=1S/C21H25N3O/c1-12-19(22-13(2)24(12)17-6-4-3-5-7-17)21(25)23-20-16-9-14-8-15(11-16)18(20)10-14/h3-7,14-16,18,20H,8-11H2,1-2H3,(H,23,25)
InChIKeyLNFIGJSRRJNZFD-UHFFFAOYSA-N
XLogP3.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-phenyl-N-(2-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-1-phenyl-N-(2-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide (CID 46231031) is 2,5-dimethyl-1-phenyl-N-(2-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-phenyl-N-(2-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-phenyl-N-(2-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide is Cc1nc(C(=O)NC2C3CC4CC(C3)C2C4)c(C)n1-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-phenyl-N-(2-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide?
The InChIKey is LNFIGJSRRJNZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-12-19(22-13(2)24(12)17-6-4-3-5-7-17)21(25)23-20-16-9-14-8-15(11-16)18(20)10-14/h3-7,14-16,18,20H,8-11H2,1-2H3,(H,23,25).
What are the key properties of 2,5-dimethyl-1-phenyl-N-(2-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide?
2,5-dimethyl-1-phenyl-N-(2-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-phenyl-N-(2-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide is sourced from PubChem (CID 46231031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).