4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-phenyl-1H-pyrrole-2-carboxamide

C20H14F2N4O — CID 11631956

IUPAC4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-phenyl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(-c2cncn2-c2cccc(F)c2F)c[nH]1
InChIInChI=1S/C20H14F2N4O/c21-15-7-4-8-17(19(15)22)26-12-23-11-18(26)13-9-16(24-10-13)20(27)25-14-5-2-1-3-6-14/h1-12,24H,(H,25,27)
InChIKeyBDYTVXKNOLWHFX-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.40
Rot. Bonds4

About 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-phenyl-1H-pyrrole-2-carboxamide

4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 11631956) has the molecular formula C20H14F2N4O and a molecular weight of 364.36 g/mol. Its IUPAC name is 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-phenyl-1H-pyrrole-2-carboxamide
PubChem CID11631956
Molecular FormulaC20H14F2N4O
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-phenyl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(-c2cncn2-c2cccc(F)c2F)c[nH]1
InChIInChI=1S/C20H14F2N4O/c21-15-7-4-8-17(19(15)22)26-12-23-11-18(26)13-9-16(24-10-13)20(27)25-14-5-2-1-3-6-14/h1-12,24H,(H,25,27)
InChIKeyBDYTVXKNOLWHFX-UHFFFAOYSA-N
XLogP4.40
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
CID 118959104
molecular hydrogen;N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide
CID 160888789
N-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide
CID 69056503
4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
CID 135135602
4-fluoro-N-(3-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 126771598
4-amino-N-(4-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 61111725
N-(4-fluorophenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067679
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide
CID 118382349
4-[5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]-N-(3-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide
CID 11646939
N-(3-methylphenyl)-3-phenylimidazole-4-carboxamide
CID 27166887
N,5-diphenylpyridine-3-carboxamide
CID 110683714

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-phenyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-phenyl-1H-pyrrole-2-carboxamide (CID 11631956) is 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-phenyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-phenyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-phenyl-1H-pyrrole-2-carboxamide is O=C(Nc1ccccc1)c1cc(-c2cncn2-c2cccc(F)c2F)c[nH]1.
What is the InChIKey of 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-phenyl-1H-pyrrole-2-carboxamide?
The InChIKey is BDYTVXKNOLWHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O/c21-15-7-4-8-17(19(15)22)26-12-23-11-18(26)13-9-16(24-10-13)20(27)25-14-5-2-1-3-6-14/h1-12,24H,(H,25,27).
What are the key properties of 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-phenyl-1H-pyrrole-2-carboxamide?
4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 11631956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).