1-ethyl-N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-ylimidazole-4-carboxamide;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-yl-1H-imidazole-5-carboxamide

C40H42F2N8O2 — CID 160744473

IUPAC1-ethyl-N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-ylimidazole-4-carboxamide;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-yl-1H-imidazole-5-carboxamide
SMILESCC(C)N(Cc1ccnc(-c2ccc(F)cc2)c1)C(=O)c1cnc[nH]1.CCn1cnc(C(=O)N(Cc2ccnc(-c3ccc(F)cc3)c2)C(C)C)c1
InChIInChI=1S/C21H23FN4O.C19H19FN4O/c1-4-25-13-20(24-14-25)21(27)26(15(2)3)12-16-9-10-23-19(11-16)17-5-7-18(22)8-6-17;1-13(2)24(19(25)18-10-21-12-23-18)11-14-7-8-22-17(9-14)15-3-5-16(20)6-4-15/h5-11,13-15H,4,12H2,1-3H3;3-10,12-13H,11H2,1-2H3,(H,21,23)
InChIKeyRWADYZDTVUEREL-UHFFFAOYSA-N
MW704.83 g/mol
LogP7.82
Rot. Bonds11

About 1-ethyl-N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-ylimidazole-4-carboxamide;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-yl-1H-imidazole-5-carboxamide

1-ethyl-N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-ylimidazole-4-carboxamide;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-yl-1H-imidazole-5-carboxamide (PubChem CID 160744473) has the molecular formula C40H42F2N8O2 and a molecular weight of 704.83 g/mol. Its IUPAC name is 1-ethyl-N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-ylimidazole-4-carboxamide;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-yl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-ylimidazole-4-carboxamide;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-yl-1H-imidazole-5-carboxamide
PubChem CID160744473
Molecular FormulaC40H42F2N8O2
Molecular Weight704.83 g/mol
Exact Mass704.34
IUPAC Name1-ethyl-N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-ylimidazole-4-carboxamide;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-yl-1H-imidazole-5-carboxamide
SMILESCC(C)N(Cc1ccnc(-c2ccc(F)cc2)c1)C(=O)c1cnc[nH]1.CCn1cnc(C(=O)N(Cc2ccnc(-c3ccc(F)cc3)c2)C(C)C)c1
InChIInChI=1S/C21H23FN4O.C19H19FN4O/c1-4-25-13-20(24-14-25)21(27)26(15(2)3)12-16-9-10-23-19(11-16)17-5-7-18(22)8-6-17;1-13(2)24(19(25)18-10-21-12-23-18)11-14-7-8-22-17(9-14)15-3-5-16(20)6-4-15/h5-11,13-15H,4,12H2,1-3H3;3-10,12-13H,11H2,1-2H3,(H,21,23)
InChIKeyRWADYZDTVUEREL-UHFFFAOYSA-N
XLogP7.82
TPSA112.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.83
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-ylimidazole-4-carboxamide;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-yl-1H-imidazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-ylimidazole-4-carboxamide;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-yl-1H-imidazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-ylimidazole-4-carboxamide;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-yl-1H-imidazole-5-carboxamide (CID 160744473) is 1-ethyl-N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-ylimidazole-4-carboxamide;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-yl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-ylimidazole-4-carboxamide;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-yl-1H-imidazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-ylimidazole-4-carboxamide;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-yl-1H-imidazole-5-carboxamide is CC(C)N(Cc1ccnc(-c2ccc(F)cc2)c1)C(=O)c1cnc[nH]1.CCn1cnc(C(=O)N(Cc2ccnc(-c3ccc(F)cc3)c2)C(C)C)c1.
What is the InChIKey of 1-ethyl-N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-ylimidazole-4-carboxamide;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-yl-1H-imidazole-5-carboxamide?
The InChIKey is RWADYZDTVUEREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O.C19H19FN4O/c1-4-25-13-20(24-14-25)21(27)26(15(2)3)12-16-9-10-23-19(11-16)17-5-7-18(22)8-6-17;1-13(2)24(19(25)18-10-21-12-23-18)11-14-7-8-22-17(9-14)15-3-5-16(20)6-4-15/h5-11,13-15H,4,12H2,1-3H3;3-10,12-13H,11H2,1-2H3,(H,21,23).
What are the key properties of 1-ethyl-N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-ylimidazole-4-carboxamide;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-yl-1H-imidazole-5-carboxamide?
1-ethyl-N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-ylimidazole-4-carboxamide;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-yl-1H-imidazole-5-carboxamide has a molecular weight of 704.83 g/mol, XLogP of 7.82, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-ylimidazole-4-carboxamide;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-yl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 160744473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).