N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide

C25H27N3O — CID 98328604

IUPACN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide
SMILESCc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)cc2)c1
InChIInChI=1S/C25H27N3O/c1-16-9-17(2)11-21(10-16)19-5-7-22(8-6-19)28-15-26-14-24(28)25(29)27-23-13-18-3-4-20(23)12-18/h5-11,14-15,18,20,23H,3-4,12-13H2,1-2H3,(H,27,29)/t18-,20-,23-/m0/s1
InChIKeyFUVBXBIFMLGACH-LEDOBFOHSA-N
MW385.51 g/mol
LogP5.07
Rot. Bonds4

About N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide

N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide (PubChem CID 98328604) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide
PubChem CID98328604
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC NameN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide
SMILESCc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)cc2)c1
InChIInChI=1S/C25H27N3O/c1-16-9-17(2)11-21(10-16)19-5-7-22(8-6-19)28-15-26-14-24(28)25(29)27-23-13-18-3-4-20(23)12-18/h5-11,14-15,18,20,23H,3-4,12-13H2,1-2H3,(H,27,29)/t18-,20-,23-/m0/s1
InChIKeyFUVBXBIFMLGACH-LEDOBFOHSA-N
XLogP5.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-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,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide (CID 98328604) is N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide is Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)cc2)c1.
What is the InChIKey of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide?
The InChIKey is FUVBXBIFMLGACH-LEDOBFOHSA-N. The full InChI is InChI=1S/C25H27N3O/c1-16-9-17(2)11-21(10-16)19-5-7-22(8-6-19)28-15-26-14-24(28)25(29)27-23-13-18-3-4-20(23)12-18/h5-11,14-15,18,20,23H,3-4,12-13H2,1-2H3,(H,27,29)/t18-,20-,23-/m0/s1.
What are the key properties of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide?
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 98328604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).