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

C21H14F3N3O — CID 4124334

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)15-7-3-6-14(11-15)20(28)25-16-8-4-5-13(12-16)19-26-17-9-1-2-10-18(17)27-19/h1-12H,(H,25,28)(H,26,27)
InChIKeyJNJTUZVZXJADQY-UHFFFAOYSA-N
MW381.36 g/mol
LogP5.50
Rot. Bonds3

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

N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 4124334) has the molecular formula C21H14F3N3O and a molecular weight of 381.36 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID4124334
Molecular FormulaC21H14F3N3O
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)15-7-3-6-14(11-15)20(28)25-16-8-4-5-13(12-16)19-26-17-9-1-2-10-18(17)27-19/h1-12H,(H,25,28)(H,26,27)
InChIKeyJNJTUZVZXJADQY-UHFFFAOYSA-N
XLogP5.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide
CID 7522685
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
[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]-4-methoxybenzamide
CID 2810335
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 5127236
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide
CID 134017494
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)-4-chlorophenyl]-3,5-bis(trifluoromethyl)benzamide
CID 89391347

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 4124334) is N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is JNJTUZVZXJADQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O/c22-21(23,24)15-7-3-6-14(11-15)20(28)25-16-8-4-5-13(12-16)19-26-17-9-1-2-10-18(17)27-19/h1-12H,(H,25,28)(H,26,27).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 381.36 g/mol, XLogP of 5.50, 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]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 4124334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).