2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile

C16H10F3N3 — CID 39151520

IUPAC2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile
SMILESN#CCn1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21
InChIInChI=1S/C16H10F3N3/c17-16(18,19)12-7-5-11(6-8-12)15-21-13-3-1-2-4-14(13)22(15)10-9-20/h1-8H,10H2
InChIKeyRFWWZMYYHFMSRZ-UHFFFAOYSA-N
MW301.27 g/mol
LogP4.25
Rot. Bonds2

About 2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile

2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile (PubChem CID 39151520) has the molecular formula C16H10F3N3 and a molecular weight of 301.27 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile
PubChem CID39151520
Molecular FormulaC16H10F3N3
Molecular Weight301.27 g/mol
Exact Mass301.08
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile
SMILESN#CCn1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21
InChIInChI=1S/C16H10F3N3/c17-16(18,19)12-7-5-11(6-8-12)15-21-13-3-1-2-4-14(13)22(15)10-9-20/h1-8H,10H2
InChIKeyRFWWZMYYHFMSRZ-UHFFFAOYSA-N
XLogP4.25
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]acetonitrile
CID 82145002
2-[[2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl]benzonitrile
CID 84571433
[2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine
CID 158757236
4-(2-phenylbenzimidazol-1-yl)butanenitrile
CID 82150408
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
CID 82149276
1-but-3-enyl-2-(4-tert-butylphenyl)benzimidazole
CID 84571658
1-methylsulfonyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazole
CID 53244225
2-[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]acetonitrile
CID 82561680
3-[2-(4-tert-butylphenyl)benzimidazol-1-yl]propane-1,2-diol
CID 84571502
2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole
CID 84571434
2-(4-tert-butylphenyl)-1-pentylbenzimidazole
CID 84571437
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile (CID 39151520) is 2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile is N#CCn1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile?
The InChIKey is RFWWZMYYHFMSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3/c17-16(18,19)12-7-5-11(6-8-12)15-21-13-3-1-2-4-14(13)22(15)10-9-20/h1-8H,10H2.
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile?
2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile has a molecular weight of 301.27 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 39151520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).