2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide

C29H24N4O4 — CID 59327005

IUPAC2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
SMILESO=C(c1ccc(Oc2ncccc2C(=O)N[C@H](CO)Cc2ccccc2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C29H24N4O4/c34-18-21(17-19-7-2-1-3-8-19)31-28(36)23-9-6-16-30-29(23)37-22-14-12-20(13-15-22)26(35)27-32-24-10-4-5-11-25(24)33-27/h1-16,21,34H,17-18H2,(H,31,36)(H,32,33)/t21-/m0/s1
InChIKeyCXBBJZJIROYARI-NRFANRHFSA-N
MW492.54 g/mol
LogP4.31
Rot. Bonds9

About 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide

2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide (PubChem CID 59327005) has the molecular formula C29H24N4O4 and a molecular weight of 492.54 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
PubChem CID59327005
Molecular FormulaC29H24N4O4
Molecular Weight492.54 g/mol
Exact Mass492.18
IUPAC Name2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
SMILESO=C(c1ccc(Oc2ncccc2C(=O)N[C@H](CO)Cc2ccccc2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C29H24N4O4/c34-18-21(17-19-7-2-1-3-8-19)31-28(36)23-9-6-16-30-29(23)37-22-14-12-20(13-15-22)26(35)27-32-24-10-4-5-11-25(24)33-27/h1-16,21,34H,17-18H2,(H,31,36)(H,32,33)/t21-/m0/s1
InChIKeyCXBBJZJIROYARI-NRFANRHFSA-N
XLogP4.31
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-[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
2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 59326842
3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 46207821
1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326971
1H-benzimidazol-2-yl-(4-phenylmethoxyphenyl)methanone
CID 13162273
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
1H-benzimidazol-2-yl-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326938
1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59327036
1H-benzimidazol-2-yl-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]methanone;molecular hydrogen
CID 143998309
1H-benzimidazol-2-yl-[4-[[3-(3-methoxyphenyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59327120

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide (CID 59327005) is 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide is O=C(c1ccc(Oc2ncccc2C(=O)N[C@H](CO)Cc2ccccc2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide?
The InChIKey is CXBBJZJIROYARI-NRFANRHFSA-N. The full InChI is InChI=1S/C29H24N4O4/c34-18-21(17-19-7-2-1-3-8-19)31-28(36)23-9-6-16-30-29(23)37-22-14-12-20(13-15-22)26(35)27-32-24-10-4-5-11-25(24)33-27/h1-16,21,34H,17-18H2,(H,31,36)(H,32,33)/t21-/m0/s1.
What are the key properties of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide?
2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide has a molecular weight of 492.54 g/mol, XLogP of 4.31, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59327005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).