N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide

C20H13F2N3O — CID 3706187

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1c(F)cccc1F
InChIInChI=1S/C20H13F2N3O/c21-14-7-4-8-15(22)18(14)20(26)23-13-6-3-5-12(11-13)19-24-16-9-1-2-10-17(16)25-19/h1-11H,(H,23,26)(H,24,25)
InChIKeyBMFPNOIAOGDDNS-UHFFFAOYSA-N
MW349.34 g/mol
LogP4.76
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide (PubChem CID 3706187) has the molecular formula C20H13F2N3O and a molecular weight of 349.34 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide
PubChem CID3706187
Molecular FormulaC20H13F2N3O
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1c(F)cccc1F
InChIInChI=1S/C20H13F2N3O/c21-14-7-4-8-15(22)18(14)20(26)23-13-6-3-5-12(11-13)19-24-16-9-1-2-10-17(16)25-19/h1-11H,(H,23,26)(H,24,25)
InChIKeyBMFPNOIAOGDDNS-UHFFFAOYSA-N
XLogP4.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
N-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 1108445
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 4124334
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide
CID 134017494
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 51109807
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide
CID 44530614
[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 5058448

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide (CID 3706187) is N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide is O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1c(F)cccc1F.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide?
The InChIKey is BMFPNOIAOGDDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O/c21-14-7-4-8-15(22)18(14)20(26)23-13-6-3-5-12(11-13)19-24-16-9-1-2-10-17(16)25-19/h1-11H,(H,23,26)(H,24,25).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide has a molecular weight of 349.34 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 3706187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).