N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide

C21H15F2N3O2 — CID 5159784

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cccc(OC(F)F)c1
InChIInChI=1S/C21H15F2N3O2/c22-21(23)28-14-7-5-6-13(12-14)20(27)26-16-9-2-1-8-15(16)19-24-17-10-3-4-11-18(17)25-19/h1-12,21H,(H,24,25)(H,26,27)
InChIKeyMYXHRZKDIHLOHY-UHFFFAOYSA-N
MW379.37 g/mol
LogP5.08
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide

N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide (PubChem CID 5159784) has the molecular formula C21H15F2N3O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide
PubChem CID5159784
Molecular FormulaC21H15F2N3O2
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cccc(OC(F)F)c1
InChIInChI=1S/C21H15F2N3O2/c22-21(23)28-14-7-5-6-13(12-14)20(27)26-16-9-2-1-8-15(16)19-24-17-10-3-4-11-18(17)25-19/h1-12,21H,(H,24,25)(H,26,27)
InChIKeyMYXHRZKDIHLOHY-UHFFFAOYSA-N
XLogP5.08
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.37
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 23826035
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide
CID 739930
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide
CID 134017494
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide
CID 167924073
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 134059402
2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide
CID 59483498
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 5168409
N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide
CID 114298284
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide
CID 59679963
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide
CID 60527286

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide (CID 5159784) is N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide is O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide?
The InChIKey is MYXHRZKDIHLOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2/c22-21(23)28-14-7-5-6-13(12-14)20(27)26-16-9-2-1-8-15(16)19-24-17-10-3-4-11-18(17)25-19/h1-12,21H,(H,24,25)(H,26,27).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide has a molecular weight of 379.37 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 5159784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).