2,5-dimethyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide

C21H25N3O — CID 53318303

IUPAC2,5-dimethyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide
SMILESCc1nc(C(=O)NC23CC4CC(CC2C4)C3)c(C)n1-c1ccccc1
InChIInChI=1S/C21H25N3O/c1-13-19(22-14(2)24(13)18-6-4-3-5-7-18)20(25)23-21-11-15-8-16(12-21)10-17(21)9-15/h3-7,15-17H,8-12H2,1-2H3,(H,23,25)
InChIKeyGGUIFPPTHFTTLY-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.80
Rot. Bonds3

About 2,5-dimethyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide

2,5-dimethyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide (PubChem CID 53318303) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide
PubChem CID53318303
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2,5-dimethyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide
SMILESCc1nc(C(=O)NC23CC4CC(CC2C4)C3)c(C)n1-c1ccccc1
InChIInChI=1S/C21H25N3O/c1-13-19(22-14(2)24(13)18-6-4-3-5-7-18)20(25)23-21-11-15-8-16(12-21)10-17(21)9-15/h3-7,15-17H,8-12H2,1-2H3,(H,23,25)
InChIKeyGGUIFPPTHFTTLY-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
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-(3-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide (CID 53318303) is 2,5-dimethyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide is Cc1nc(C(=O)NC23CC4CC(CC2C4)C3)c(C)n1-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide?
The InChIKey is GGUIFPPTHFTTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-13-19(22-14(2)24(13)18-6-4-3-5-7-18)20(25)23-21-11-15-8-16(12-21)10-17(21)9-15/h3-7,15-17H,8-12H2,1-2H3,(H,23,25).
What are the key properties of 2,5-dimethyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide?
2,5-dimethyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 3.80, 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-(3-tricyclo[3.3.1.03,7]nonanyl)imidazole-4-carboxamide is sourced from PubChem (CID 53318303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).