2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

C27H21N5O3 — CID 59326842

IUPAC2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(c1ccc(Oc2ncccc2C(=O)NCCc2ccccn2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C27H21N5O3/c33-24(25-31-22-8-1-2-9-23(22)32-25)18-10-12-20(13-11-18)35-27-21(7-5-16-30-27)26(34)29-17-14-19-6-3-4-15-28-19/h1-13,15-16H,14,17H2,(H,29,34)(H,31,32)
InChIKeyIWPQAKYWSKMIEN-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.35
Rot. Bonds8

About 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide (PubChem CID 59326842) has the molecular formula C27H21N5O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
PubChem CID59326842
Molecular FormulaC27H21N5O3
Molecular Weight463.50 g/mol
Exact Mass463.16
IUPAC Name2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(c1ccc(Oc2ncccc2C(=O)NCCc2ccccn2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C27H21N5O3/c33-24(25-31-22-8-1-2-9-23(22)32-25)18-10-12-20(13-11-18)35-27-21(7-5-16-30-27)26(34)29-17-14-19-6-3-4-15-28-19/h1-13,15-16H,14,17H2,(H,29,34)(H,31,32)
InChIKeyIWPQAKYWSKMIEN-UHFFFAOYSA-N
XLogP4.35
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 46207821
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-[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
1H-benzimidazol-2-yl-[4-[[3-(2-fluoro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326971
1H-benzimidazol-2-yl-[4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyphenyl]methanone
CID 59351281
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
1H-benzimidazol-2-yl-[4-[(3-octan-3-yl-2-pyridinyl)oxy]phenyl]methanone
CID 91146087
3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]benzonitrile
CID 59326958

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide (CID 59326842) is 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide is O=C(c1ccc(Oc2ncccc2C(=O)NCCc2ccccn2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is IWPQAKYWSKMIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O3/c33-24(25-31-22-8-1-2-9-23(22)32-25)18-10-12-20(13-11-18)35-27-21(7-5-16-30-27)26(34)29-17-14-19-6-3-4-15-28-19/h1-13,15-16H,14,17H2,(H,29,34)(H,31,32).
What are the key properties of 2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 463.50 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 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-(2-pyridin-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59326842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).