2-[3-(2-methoxy-3-pyridinyl)phenyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3H-benzimidazole-5-carboxamide

C26H24N6O3 — CID 71194262

IUPAC2-[3-(2-methoxy-3-pyridinyl)phenyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ncccc1-c1cccc(-c2nc3ccc(C(=O)NCc4nc(C(C)C)no4)cc3[nH]2)c1
InChIInChI=1S/C26H24N6O3/c1-15(2)23-31-22(35-32-23)14-28-25(33)18-9-10-20-21(13-18)30-24(29-20)17-7-4-6-16(12-17)19-8-5-11-27-26(19)34-3/h4-13,15H,14H2,1-3H3,(H,28,33)(H,29,30)
InChIKeyZDEQHOOXZCJHOV-UHFFFAOYSA-N
MW468.52 g/mol
LogP4.74
Rot. Bonds7

About 2-[3-(2-methoxy-3-pyridinyl)phenyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3H-benzimidazole-5-carboxamide

2-[3-(2-methoxy-3-pyridinyl)phenyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 71194262) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-[3-(2-methoxy-3-pyridinyl)phenyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-(2-methoxy-3-pyridinyl)phenyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID71194262
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name2-[3-(2-methoxy-3-pyridinyl)phenyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ncccc1-c1cccc(-c2nc3ccc(C(=O)NCc4nc(C(C)C)no4)cc3[nH]2)c1
InChIInChI=1S/C26H24N6O3/c1-15(2)23-31-22(35-32-23)14-28-25(33)18-9-10-20-21(13-18)30-24(29-20)17-7-4-6-16(12-17)19-8-5-11-27-26(19)34-3/h4-13,15H,14H2,1-3H3,(H,28,33)(H,29,30)
InChIKeyZDEQHOOXZCJHOV-UHFFFAOYSA-N
XLogP4.74
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxybutyl)-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 143457947
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[3-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 71194257
N-[3-amino-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]-2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 173497614
2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110766091
N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 95985146
methyl 4-[(2R)-2-[[2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carbonyl]amino]propyl]imidazole-1-carboxylate
CID 136595507
2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide
CID 137120394
N-(3-amino-4-methanimidoylphenyl)-2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 143458156
2-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-carbohydrazide
CID 91902915
N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide
CID 134797934
methyl 2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]-3-pyrimidin-2-ylsulfanylpropanoate
CID 18685915

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxy-3-pyridinyl)phenyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[3-(2-methoxy-3-pyridinyl)phenyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3H-benzimidazole-5-carboxamide (CID 71194262) is 2-[3-(2-methoxy-3-pyridinyl)phenyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[3-(2-methoxy-3-pyridinyl)phenyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[3-(2-methoxy-3-pyridinyl)phenyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3H-benzimidazole-5-carboxamide is COc1ncccc1-c1cccc(-c2nc3ccc(C(=O)NCc4nc(C(C)C)no4)cc3[nH]2)c1.
What is the InChIKey of 2-[3-(2-methoxy-3-pyridinyl)phenyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is ZDEQHOOXZCJHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-15(2)23-31-22(35-32-23)14-28-25(33)18-9-10-20-21(13-18)30-24(29-20)17-7-4-6-16(12-17)19-8-5-11-27-26(19)34-3/h4-13,15H,14H2,1-3H3,(H,28,33)(H,29,30).
What are the key properties of 2-[3-(2-methoxy-3-pyridinyl)phenyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3H-benzimidazole-5-carboxamide?
2-[3-(2-methoxy-3-pyridinyl)phenyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 468.52 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxy-3-pyridinyl)phenyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 71194262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).