N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-5-methyl-1-phenylimidazole-4-carboxamide

C21H27N3O — CID 46230974

IUPACN-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-5-methyl-1-phenylimidazole-4-carboxamide
SMILESCc1c(C(=O)NCC2C[C@@H]3C[C@H](C2)C3(C)C)ncn1-c1ccccc1
InChIInChI=1S/C21H27N3O/c1-14-19(23-13-24(14)18-7-5-4-6-8-18)20(25)22-12-15-9-16-11-17(10-15)21(16,2)3/h4-8,13,15-17H,9-12H2,1-3H3,(H,22,25)/t15?,16-,17+
InChIKeyCQIUWBKHCDNSQM-ALOPSCKCSA-N
MW337.47 g/mol
LogP3.98
Rot. Bonds4

About N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-5-methyl-1-phenylimidazole-4-carboxamide

N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-5-methyl-1-phenylimidazole-4-carboxamide (PubChem CID 46230974) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-5-methyl-1-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-5-methyl-1-phenylimidazole-4-carboxamide
PubChem CID46230974
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-5-methyl-1-phenylimidazole-4-carboxamide
SMILESCc1c(C(=O)NCC2C[C@@H]3C[C@H](C2)C3(C)C)ncn1-c1ccccc1
InChIInChI=1S/C21H27N3O/c1-14-19(23-13-24(14)18-7-5-4-6-8-18)20(25)22-12-15-9-16-11-17(10-15)21(16,2)3/h4-8,13,15-17H,9-12H2,1-3H3,(H,22,25)/t15?,16-,17+
InChIKeyCQIUWBKHCDNSQM-ALOPSCKCSA-N
XLogP3.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-5-methyl-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-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-5-methyl-1-phenylimidazole-4-carboxamide?
The IUPAC name of N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-5-methyl-1-phenylimidazole-4-carboxamide (CID 46230974) is N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-5-methyl-1-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-5-methyl-1-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-5-methyl-1-phenylimidazole-4-carboxamide is Cc1c(C(=O)NCC2C[C@@H]3C[C@H](C2)C3(C)C)ncn1-c1ccccc1.
What is the InChIKey of N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-5-methyl-1-phenylimidazole-4-carboxamide?
The InChIKey is CQIUWBKHCDNSQM-ALOPSCKCSA-N. The full InChI is InChI=1S/C21H27N3O/c1-14-19(23-13-24(14)18-7-5-4-6-8-18)20(25)22-12-15-9-16-11-17(10-15)21(16,2)3/h4-8,13,15-17H,9-12H2,1-3H3,(H,22,25)/t15?,16-,17+.
What are the key properties of N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-5-methyl-1-phenylimidazole-4-carboxamide?
N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-5-methyl-1-phenylimidazole-4-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-5-methyl-1-phenylimidazole-4-carboxamide is sourced from PubChem (CID 46230974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).