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

C19H18F2N4O2 — CID 11559765

IUPAC4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(-c2cncn2-c2cccc(F)c2F)c[nH]1
InChIInChI=1S/C19H18F2N4O2/c20-14-4-1-5-16(18(14)21)25-11-22-10-17(25)12-7-15(23-8-12)19(26)24-9-13-3-2-6-27-13/h1,4-5,7-8,10-11,13,23H,2-3,6,9H2,(H,24,26)/t13-/m0/s1
InChIKeyAUWGKOZVXLZORU-ZDUSSCGKSA-N
MW372.38 g/mol
LogP3.05
Rot. Bonds5

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

4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 11559765) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID11559765
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(-c2cncn2-c2cccc(F)c2F)c[nH]1
InChIInChI=1S/C19H18F2N4O2/c20-14-4-1-5-16(18(14)21)25-11-22-10-17(25)12-7-15(23-8-12)19(26)24-9-13-3-2-6-27-13/h1,4-5,7-8,10-11,13,23H,2-3,6,9H2,(H,24,26)/t13-/m0/s1
InChIKeyAUWGKOZVXLZORU-ZDUSSCGKSA-N
XLogP3.05
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 135520131
4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-phenyl-1H-pyrrole-2-carboxamide
CID 11631956
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-imidazole-2-carboxamide
CID 135405829
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
4-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849428
4-(2-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 3840272
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425082
5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185098
1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 53333415
5-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 99599447

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide (CID 11559765) is 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide is O=C(NC[C@@H]1CCCO1)c1cc(-c2cncn2-c2cccc(F)c2F)c[nH]1.
What is the InChIKey of 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is AUWGKOZVXLZORU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c20-14-4-1-5-16(18(14)21)25-11-22-10-17(25)12-7-15(23-8-12)19(26)24-9-13-3-2-6-27-13/h1,4-5,7-8,10-11,13,23H,2-3,6,9H2,(H,24,26)/t13-/m0/s1.
What are the key properties of 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide?
4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 11559765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).