2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-6-[6-[2-[[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyridine-3-carbonyl]amino]propyl]-3-pyridinyl]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide

C56H44N10O6 — CID 91031279

IUPAC2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-6-[6-[2-[[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyridine-3-carbonyl]amino]propyl]-3-pyridinyl]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide
SMILESCC(Cc1ccc(-c2ccc(C(=O)NC(C)Cc3ccccn3)c(Oc3ccc(C(=O)c4nc5ccccc5[nH]4)cc3)n2)cn1)NC(=O)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C56H44N10O6/c1-33(30-38-10-7-8-28-57-38)61-54(70)43-26-27-44(66-56(43)72-41-24-19-36(20-25-41)50(68)52-64-47-14-5-6-15-48(47)65-52)37-16-21-39(59-32-37)31-34(2)60-53(69)42-11-9-29-58-55(42)71-40-22-17-35(18-23-40)49(67)51-62-45-12-3-4-13-46(45)63-51/h3-29,32-34H,30-31H2,1-2H3,(H,60,69)(H,61,70)(H,62,63)(H,64,65)
InChIKeyJABQRBNMIQYBGQ-UHFFFAOYSA-N
MW953.03 g/mol
LogP9.45
Rot. Bonds17

About 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-6-[6-[2-[[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyridine-3-carbonyl]amino]propyl]-3-pyridinyl]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide

2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-6-[6-[2-[[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyridine-3-carbonyl]amino]propyl]-3-pyridinyl]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide (PubChem CID 91031279) has the molecular formula C56H44N10O6 and a molecular weight of 953.03 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-6-[6-[2-[[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyridine-3-carbonyl]amino]propyl]-3-pyridinyl]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-6-[6-[2-[[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyridine-3-carbonyl]amino]propyl]-3-pyridinyl]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide
PubChem CID91031279
Molecular FormulaC56H44N10O6
Molecular Weight953.03 g/mol
Exact Mass952.34
IUPAC Name2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-6-[6-[2-[[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyridine-3-carbonyl]amino]propyl]-3-pyridinyl]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide
SMILESCC(Cc1ccc(-c2ccc(C(=O)NC(C)Cc3ccccn3)c(Oc3ccc(C(=O)c4nc5ccccc5[nH]4)cc3)n2)cn1)NC(=O)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C56H44N10O6/c1-33(30-38-10-7-8-28-57-38)61-54(70)43-26-27-44(66-56(43)72-41-24-19-36(20-25-41)50(68)52-64-47-14-5-6-15-48(47)65-52)37-16-21-39(59-32-37)31-34(2)60-53(69)42-11-9-29-58-55(42)71-40-22-17-35(18-23-40)49(67)51-62-45-12-3-4-13-46(45)63-51/h3-29,32-34H,30-31H2,1-2H3,(H,60,69)(H,61,70)(H,62,63)(H,64,65)
InChIKeyJABQRBNMIQYBGQ-UHFFFAOYSA-N
XLogP9.45
TPSA219.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500953.03
LogP ≤ 59.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-6-[6-[2-[[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyridine-3-carbonyl]amino]propyl]-3-pyridinyl]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

Amg 579
CID 59351313
N-[4-[[5-fluoro-2-[3-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190464
4-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-1-methylpyrrolidin-2-one
CID 59326873
1-[3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59326903
1-[4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59327006
1-[4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperazin-1-yl]ethanone
CID 46208210
4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one
CID 46208470
(3R)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one
CID 46189861
(3S)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one
CID 46215205
1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone
CID 46215374
1H-Benzimidazol-2-yl[4-([3,4'-bipyridin]-2-yloxy)phenyl]methanone
CID 46216063
2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 46216388

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-6-[6-[2-[[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyridine-3-carbonyl]amino]propyl]-3-pyridinyl]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-6-[6-[2-[[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyridine-3-carbonyl]amino]propyl]-3-pyridinyl]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide (CID 91031279) is 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-6-[6-[2-[[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyridine-3-carbonyl]amino]propyl]-3-pyridinyl]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-6-[6-[2-[[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyridine-3-carbonyl]amino]propyl]-3-pyridinyl]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-6-[6-[2-[[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyridine-3-carbonyl]amino]propyl]-3-pyridinyl]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide is CC(Cc1ccc(-c2ccc(C(=O)NC(C)Cc3ccccn3)c(Oc3ccc(C(=O)c4nc5ccccc5[nH]4)cc3)n2)cn1)NC(=O)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-6-[6-[2-[[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyridine-3-carbonyl]amino]propyl]-3-pyridinyl]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide?
The InChIKey is JABQRBNMIQYBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N10O6/c1-33(30-38-10-7-8-28-57-38)61-54(70)43-26-27-44(66-56(43)72-41-24-19-36(20-25-41)50(68)52-64-47-14-5-6-15-48(47)65-52)37-16-21-39(59-32-37)31-34(2)60-53(69)42-11-9-29-58-55(42)71-40-22-17-35(18-23-40)49(67)51-62-45-12-3-4-13-46(45)63-51/h3-29,32-34H,30-31H2,1-2H3,(H,60,69)(H,61,70)(H,62,63)(H,64,65).
What are the key properties of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-6-[6-[2-[[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyridine-3-carbonyl]amino]propyl]-3-pyridinyl]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide?
2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-6-[6-[2-[[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyridine-3-carbonyl]amino]propyl]-3-pyridinyl]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide has a molecular weight of 953.03 g/mol, XLogP of 9.45, 17 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-6-[6-[2-[[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyridine-3-carbonyl]amino]propyl]-3-pyridinyl]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 91031279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).