2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide

C58H46F2N8O6 — CID 143998364

IUPAC2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1.C[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/2C29H23FN4O3/c2*1-18(17-19-8-12-21(30)13-9-19)32-28(36)23-5-4-16-31-29(23)37-22-14-10-20(11-15-22)26(35)27-33-24-6-2-3-7-25(24)34-27/h2*2-16,18H,17H2,1H3,(H,32,36)(H,33,34)/t18-;/m0./s1
InChIKeyMHJZJMGRFXFVAN-FERBBOLQSA-N
MW989.05 g/mol
LogP10.96
Rot. Bonds16

About 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide

2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide (PubChem CID 143998364) has the molecular formula C58H46F2N8O6 and a molecular weight of 989.05 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
PubChem CID143998364
Molecular FormulaC58H46F2N8O6
Molecular Weight989.05 g/mol
Exact Mass988.35
IUPAC Name2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1.C[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/2C29H23FN4O3/c2*1-18(17-19-8-12-21(30)13-9-19)32-28(36)23-5-4-16-31-29(23)37-22-14-10-20(11-15-22)26(35)27-33-24-6-2-3-7-25(24)34-27/h2*2-16,18H,17H2,1H3,(H,32,36)(H,33,34)/t18-;/m0./s1
InChIKeyMHJZJMGRFXFVAN-FERBBOLQSA-N
XLogP10.96
TPSA193.94 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.05
LogP ≤ 510.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 59327005
2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 59326975
2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 59326842
1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326971
3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 46207821
[4-[(3-chloro-2-pyridinyl)oxy]phenyl]-(6-fluoro-1H-benzimidazol-2-yl)methanone
CID 46216386
1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326938
1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone
CID 59351281
1H-benzimidazol-2-yl-[4-[(3-octan-3-yl-2-pyridinyl)oxy]phenyl]methanone
CID 91146087
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 63008606
1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59327120
1H-benzimidazol-2-yl-[4-[[3-(1-methylpyrazol-4-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326779

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide (CID 143998364) is 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide is CC(Cc1ccc(F)cc1)NC(=O)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1.C[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide?
The InChIKey is MHJZJMGRFXFVAN-FERBBOLQSA-N. The full InChI is InChI=1S/2C29H23FN4O3/c2*1-18(17-19-8-12-21(30)13-9-19)32-28(36)23-5-4-16-31-29(23)37-22-14-10-20(11-15-22)26(35)27-33-24-6-2-3-7-25(24)34-27/h2*2-16,18H,17H2,1H3,(H,32,36)(H,33,34)/t18-;/m0./s1.
What are the key properties of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide?
2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide has a molecular weight of 989.05 g/mol, XLogP of 10.96, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 143998364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).