4-N-(2-fluorophenyl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide

C19H17FN4O2 — CID 46903844

IUPAC4-N-(2-fluorophenyl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide
SMILESC[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccccc1F)c1ccccc1
InChIInChI=1S/C19H17FN4O2/c1-12(13-7-3-2-4-8-13)23-18(25)16-17(22-11-21-16)19(26)24-15-10-6-5-9-14(15)20/h2-12H,1H3,(H,21,22)(H,23,25)(H,24,26)/t12-/m1/s1
InChIKeyMFLNKLWALMUZQW-GFCCVEGCSA-N
MW352.37 g/mol
LogP3.29
Rot. Bonds5

About 4-N-(2-fluorophenyl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide

4-N-(2-fluorophenyl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide (PubChem CID 46903844) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide
PubChem CID46903844
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name4-N-(2-fluorophenyl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide
SMILESC[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccccc1F)c1ccccc1
InChIInChI=1S/C19H17FN4O2/c1-12(13-7-3-2-4-8-13)23-18(25)16-17(22-11-21-16)19(26)24-15-10-6-5-9-14(15)20/h2-12H,1H3,(H,21,22)(H,23,25)(H,24,26)/t12-/m1/s1
InChIKeyMFLNKLWALMUZQW-GFCCVEGCSA-N
XLogP3.29
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-N-(2-fluorophenyl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 447371
CID 447371
CID 2822876
CID 2822876
CID 16746604
CID 16746604
CID 54712035
CID 54712035
CID 135435057
CID 135435057
CID 11996351
CID 11996351
CID 823571
CID 823571
CID 2823055
CID 2823055
CID 2823068
CID 2823068
CID 16746597
CID 16746597
CID 16746616
CID 16746616
CID 24901509
CID 24901509

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-(2-fluorophenyl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide (CID 46903844) is 4-N-(2-fluorophenyl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(2-fluorophenyl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(2-fluorophenyl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide is C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccccc1F)c1ccccc1.
What is the InChIKey of 4-N-(2-fluorophenyl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide?
The InChIKey is MFLNKLWALMUZQW-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-12(13-7-3-2-4-8-13)23-18(25)16-17(22-11-21-16)19(26)24-15-10-6-5-9-14(15)20/h2-12H,1H3,(H,21,22)(H,23,25)(H,24,26)/t12-/m1/s1.
What are the key properties of 4-N-(2-fluorophenyl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide?
4-N-(2-fluorophenyl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluorophenyl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 46903844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).