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

C56H46N10O6 — CID 143998402

IUPAC2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyridine-3-carboxamide
SMILESCC(Cc1ccccn1)NC(=O)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1.C[C@@H](Cc1ccccn1)NC(=O)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/2C28H23N5O3/c2*1-18(17-20-7-4-5-15-29-20)31-27(35)22-8-6-16-30-28(22)36-21-13-11-19(12-14-21)25(34)26-32-23-9-2-3-10-24(23)33-26/h2*2-16,18H,17H2,1H3,(H,31,35)(H,32,33)/t18-;/m0./s1
InChIKeyZUSNZHMRCDEKEM-FERBBOLQSA-N
MW955.05 g/mol
LogP9.47
Rot. Bonds16

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

2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyridine-3-carboxamide (PubChem CID 143998402) has the molecular formula C56H46N10O6 and a molecular weight of 955.05 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyridine-3-carboxamide
PubChem CID143998402
Molecular FormulaC56H46N10O6
Molecular Weight955.05 g/mol
Exact Mass954.36
IUPAC Name2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyridine-3-carboxamide
SMILESCC(Cc1ccccn1)NC(=O)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1.C[C@@H](Cc1ccccn1)NC(=O)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/2C28H23N5O3/c2*1-18(17-20-7-4-5-15-29-20)31-27(35)22-8-6-16-30-28(22)36-21-13-11-19(12-14-21)25(34)26-32-23-9-2-3-10-24(23)33-26/h2*2-16,18H,17H2,1H3,(H,31,35)(H,32,33)/t18-;/m0./s1
InChIKeyZUSNZHMRCDEKEM-FERBBOLQSA-N
XLogP9.47
TPSA219.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500955.05
LogP ≤ 59.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-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
5-(2-(4-(1H-Benzo[D]imidazole-2-carbonyl)phenoxy)pyridin-3-YL)-1-methylazepan-2-one
CID 46214716
(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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyridine-3-carboxamide (CID 143998402) is 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyridine-3-carboxamide is CC(Cc1ccccn1)NC(=O)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1.C[C@@H](Cc1ccccn1)NC(=O)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyridine-3-carboxamide?
The InChIKey is ZUSNZHMRCDEKEM-FERBBOLQSA-N. The full InChI is InChI=1S/2C28H23N5O3/c2*1-18(17-20-7-4-5-15-29-20)31-27(35)22-8-6-16-30-28(22)36-21-13-11-19(12-14-21)25(34)26-32-23-9-2-3-10-24(23)33-26/h2*2-16,18H,17H2,1H3,(H,31,35)(H,32,33)/t18-;/m0./s1.
What are the key properties of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyridine-3-carboxamide?
2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyridine-3-carboxamide has a molecular weight of 955.05 g/mol, XLogP of 9.47, 16 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]-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide;2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 143998402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).