1-(4-chlorophenyl)-N-(4-fluorophenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]imidazole-2-carboxamide

C23H19ClFN5O — CID 11339549

IUPAC1-(4-chlorophenyl)-N-(4-fluorophenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]imidazole-2-carboxamide
SMILESCN(Cc1cn(-c2ccc(Cl)cc2)c(C(=O)Nc2ccc(F)cc2)n1)c1ccncc1
InChIInChI=1S/C23H19ClFN5O/c1-29(20-10-12-26-13-11-20)14-19-15-30(21-8-2-16(24)3-9-21)22(27-19)23(31)28-18-6-4-17(25)5-7-18/h2-13,15H,14H2,1H3,(H,28,31)
InChIKeyJZSBEMVTEMBGOB-UHFFFAOYSA-N
MW435.89 g/mol
LogP4.95
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(4-fluorophenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]imidazole-2-carboxamide

1-(4-chlorophenyl)-N-(4-fluorophenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]imidazole-2-carboxamide (PubChem CID 11339549) has the molecular formula C23H19ClFN5O and a molecular weight of 435.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-fluorophenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-fluorophenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]imidazole-2-carboxamide
PubChem CID11339549
Molecular FormulaC23H19ClFN5O
Molecular Weight435.89 g/mol
Exact Mass435.13
IUPAC Name1-(4-chlorophenyl)-N-(4-fluorophenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]imidazole-2-carboxamide
SMILESCN(Cc1cn(-c2ccc(Cl)cc2)c(C(=O)Nc2ccc(F)cc2)n1)c1ccncc1
InChIInChI=1S/C23H19ClFN5O/c1-29(20-10-12-26-13-11-20)14-19-15-30(21-8-2-16(24)3-9-21)22(27-19)23(31)28-18-6-4-17(25)5-7-18/h2-13,15H,14H2,1H3,(H,28,31)
InChIKeyJZSBEMVTEMBGOB-UHFFFAOYSA-N
XLogP4.95
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4-fluorophenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]imidazole-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-fluorophenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]imidazole-2-carboxamide (CID 11339549) is 1-(4-chlorophenyl)-N-(4-fluorophenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-fluorophenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]imidazole-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-fluorophenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]imidazole-2-carboxamide is CN(Cc1cn(-c2ccc(Cl)cc2)c(C(=O)Nc2ccc(F)cc2)n1)c1ccncc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-fluorophenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]imidazole-2-carboxamide?
The InChIKey is JZSBEMVTEMBGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O/c1-29(20-10-12-26-13-11-20)14-19-15-30(21-8-2-16(24)3-9-21)22(27-19)23(31)28-18-6-4-17(25)5-7-18/h2-13,15H,14H2,1H3,(H,28,31).
What are the key properties of 1-(4-chlorophenyl)-N-(4-fluorophenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]imidazole-2-carboxamide?
1-(4-chlorophenyl)-N-(4-fluorophenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]imidazole-2-carboxamide has a molecular weight of 435.89 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4-fluorophenyl)-4-[[methyl(pyridin-4-yl)amino]methyl]imidazole-2-carboxamide is sourced from PubChem (CID 11339549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).