N-(2-adamantyl)-1-phenylimidazole-4-carboxamide

C20H23N3O — CID 58695734

IUPACN-(2-adamantyl)-1-phenylimidazole-4-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cn(-c2ccccc2)cn1
InChIInChI=1S/C20H23N3O/c24-20(18-11-23(12-21-18)17-4-2-1-3-5-17)22-19-15-7-13-6-14(9-15)10-16(19)8-13/h1-5,11-16,19H,6-10H2,(H,22,24)
InChIKeyCKRBMJXPJDFDRH-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.43
Rot. Bonds3

About N-(2-adamantyl)-1-phenylimidazole-4-carboxamide

N-(2-adamantyl)-1-phenylimidazole-4-carboxamide (PubChem CID 58695734) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(2-adamantyl)-1-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-phenylimidazole-4-carboxamide
PubChem CID58695734
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-(2-adamantyl)-1-phenylimidazole-4-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cn(-c2ccccc2)cn1
InChIInChI=1S/C20H23N3O/c24-20(18-11-23(12-21-18)17-4-2-1-3-5-17)22-19-15-7-13-6-14(9-15)10-16(19)8-13/h1-5,11-16,19H,6-10H2,(H,22,24)
InChIKeyCKRBMJXPJDFDRH-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-adamantyl)-1-phenylimidazole-4-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 N-(2-adamantyl)-1-phenylimidazole-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-phenylimidazole-4-carboxamide (CID 58695734) is N-(2-adamantyl)-1-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-phenylimidazole-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-phenylimidazole-4-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1cn(-c2ccccc2)cn1.
What is the InChIKey of N-(2-adamantyl)-1-phenylimidazole-4-carboxamide?
The InChIKey is CKRBMJXPJDFDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20(18-11-23(12-21-18)17-4-2-1-3-5-17)22-19-15-7-13-6-14(9-15)10-16(19)8-13/h1-5,11-16,19H,6-10H2,(H,22,24).
What are the key properties of N-(2-adamantyl)-1-phenylimidazole-4-carboxamide?
N-(2-adamantyl)-1-phenylimidazole-4-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-phenylimidazole-4-carboxamide is sourced from PubChem (CID 58695734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).