N-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide

C15H11F2N3O2 — CID 2127514

IUPACN-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccccc1OC(F)F
InChIInChI=1S/C15H11F2N3O2/c16-14(17)22-12-8-4-1-5-9(12)13(21)20-15-18-10-6-2-3-7-11(10)19-15/h1-8,14H,(H2,18,19,20,21)
InChIKeyJKAHTWOLXMNQCN-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.42
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide

N-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide (PubChem CID 2127514) has the molecular formula C15H11F2N3O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide
PubChem CID2127514
Molecular FormulaC15H11F2N3O2
Molecular Weight303.27 g/mol
Exact Mass303.08
IUPAC NameN-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccccc1OC(F)F
InChIInChI=1S/C15H11F2N3O2/c16-14(17)22-12-8-4-1-5-9(12)13(21)20-15-18-10-6-2-3-7-11(10)19-15/h1-8,14H,(H2,18,19,20,21)
InChIKeyJKAHTWOLXMNQCN-UHFFFAOYSA-N
XLogP3.42
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide (CID 2127514) is N-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide is O=C(Nc1nc2ccccc2[nH]1)c1ccccc1OC(F)F.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide?
The InChIKey is JKAHTWOLXMNQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2/c16-14(17)22-12-8-4-1-5-9(12)13(21)20-15-18-10-6-2-3-7-11(10)19-15/h1-8,14H,(H2,18,19,20,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide?
N-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide has a molecular weight of 303.27 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 2127514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).