N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide

C21H15F2N3O2 — CID 134017494

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H15F2N3O2/c22-21(23)28-16-10-8-13(9-11-16)20(27)24-15-5-3-4-14(12-15)19-25-17-6-1-2-7-18(17)26-19/h1-12,21H,(H,24,27)(H,25,26)
InChIKeyUEGWSCULRSCYIL-UHFFFAOYSA-N
MW379.37 g/mol
LogP5.08
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide (PubChem CID 134017494) has the molecular formula C21H15F2N3O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide
PubChem CID134017494
Molecular FormulaC21H15F2N3O2
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H15F2N3O2/c22-21(23)28-16-10-8-13(9-11-16)20(27)24-15-5-3-4-14(12-15)19-25-17-6-1-2-7-18(17)26-19/h1-12,21H,(H,24,27)(H,25,26)
InChIKeyUEGWSCULRSCYIL-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-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide
CID 3131474
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219
[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 5058448
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide
CID 3706187
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 4124334
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993117
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide
CID 15997481
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide (CID 134017494) is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide is O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide?
The InChIKey is UEGWSCULRSCYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2/c22-21(23)28-16-10-8-13(9-11-16)20(27)24-15-5-3-4-14(12-15)19-25-17-6-1-2-7-18(17)26-19/h1-12,21H,(H,24,27)(H,25,26).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(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-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 134017494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).