6-methoxy-N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide

C21H15F3N4O2 — CID 58278988

IUPAC6-methoxy-N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccccn2)c2nc(-c3ccccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C21H15F3N4O2/c1-30-12-10-14(20(29)27-17-8-4-5-9-25-17)18-16(11-12)26-19(28-18)13-6-2-3-7-15(13)21(22,23)24/h2-11H,1H3,(H,26,28)(H,25,27,29)
InChIKeyOXUWMODVEKWKIG-UHFFFAOYSA-N
MW412.37 g/mol
LogP4.90
Rot. Bonds4

About 6-methoxy-N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide

6-methoxy-N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 58278988) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is 6-methoxy-N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID58278988
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC Name6-methoxy-N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccccn2)c2nc(-c3ccccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C21H15F3N4O2/c1-30-12-10-14(20(29)27-17-8-4-5-9-25-17)18-16(11-12)26-19(28-18)13-6-2-3-7-15(13)21(22,23)24/h2-11H,1H3,(H,26,28)(H,25,27,29)
InChIKeyOXUWMODVEKWKIG-UHFFFAOYSA-N
XLogP4.90
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-methoxy-N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (CID 58278988) is 6-methoxy-N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-methoxy-N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is COc1cc(C(=O)Nc2ccccn2)c2nc(-c3ccccc3C(F)(F)F)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is OXUWMODVEKWKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2/c1-30-12-10-14(20(29)27-17-8-4-5-9-25-17)18-16(11-12)26-19(28-18)13-6-2-3-7-15(13)21(22,23)24/h2-11H,1H3,(H,26,28)(H,25,27,29).
What are the key properties of 6-methoxy-N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
6-methoxy-N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 412.37 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58278988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).