N-[(1S,2R)-2-bicyclo[2.2.1]heptanyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide

C19H23N3O — CID 91040243

IUPACN-[(1S,2R)-2-bicyclo[2.2.1]heptanyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@@H]2CC3CC[C@H]2C3)c(C)n1-c1ccccc1
InChIInChI=1S/C19H23N3O/c1-12-18(19(23)21-17-11-14-8-9-15(17)10-14)20-13(2)22(12)16-6-4-3-5-7-16/h3-7,14-15,17H,8-11H2,1-2H3,(H,21,23)/t14?,15-,17+/m0/s1
InChIKeyAXGFLMOFQSPXCC-IGGKNEPZSA-N
MW309.41 g/mol
LogP3.41
Rot. Bonds3

About N-[(1S,2R)-2-bicyclo[2.2.1]heptanyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide

N-[(1S,2R)-2-bicyclo[2.2.1]heptanyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide (PubChem CID 91040243) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(1S,2R)-2-bicyclo[2.2.1]heptanyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-bicyclo[2.2.1]heptanyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide
PubChem CID91040243
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[(1S,2R)-2-bicyclo[2.2.1]heptanyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@@H]2CC3CC[C@H]2C3)c(C)n1-c1ccccc1
InChIInChI=1S/C19H23N3O/c1-12-18(19(23)21-17-11-14-8-9-15(17)10-14)20-13(2)22(12)16-6-4-3-5-7-16/h3-7,14-15,17H,8-11H2,1-2H3,(H,21,23)/t14?,15-,17+/m0/s1
InChIKeyAXGFLMOFQSPXCC-IGGKNEPZSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-bicyclo[2.2.1]heptanyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide?
The IUPAC name of N-[(1S,2R)-2-bicyclo[2.2.1]heptanyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide (CID 91040243) is N-[(1S,2R)-2-bicyclo[2.2.1]heptanyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-bicyclo[2.2.1]heptanyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-bicyclo[2.2.1]heptanyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide is Cc1nc(C(=O)N[C@@H]2CC3CC[C@H]2C3)c(C)n1-c1ccccc1.
What is the InChIKey of N-[(1S,2R)-2-bicyclo[2.2.1]heptanyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide?
The InChIKey is AXGFLMOFQSPXCC-IGGKNEPZSA-N. The full InChI is InChI=1S/C19H23N3O/c1-12-18(19(23)21-17-11-14-8-9-15(17)10-14)20-13(2)22(12)16-6-4-3-5-7-16/h3-7,14-15,17H,8-11H2,1-2H3,(H,21,23)/t14?,15-,17+/m0/s1.
What are the key properties of N-[(1S,2R)-2-bicyclo[2.2.1]heptanyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide?
N-[(1S,2R)-2-bicyclo[2.2.1]heptanyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-bicyclo[2.2.1]heptanyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide is sourced from PubChem (CID 91040243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).