2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile

C14H7F3N4 — CID 104715108

IUPAC2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(-c3c(F)cc(F)cc3F)c2c1
InChIInChI=1S/C14H7F3N4/c15-8-4-9(16)13(10(17)5-8)21-12-3-7(6-18)1-2-11(12)20-14(21)19/h1-5H,(H2,19,20)
InChIKeyQWRJNCRJMYQXME-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.90
Rot. Bonds1

About 2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile

2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile (PubChem CID 104715108) has the molecular formula C14H7F3N4 and a molecular weight of 288.23 g/mol. Its IUPAC name is 2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
PubChem CID104715108
Molecular FormulaC14H7F3N4
Molecular Weight288.23 g/mol
Exact Mass288.06
IUPAC Name2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(-c3c(F)cc(F)cc3F)c2c1
InChIInChI=1S/C14H7F3N4/c15-8-4-9(16)13(10(17)5-8)21-12-3-7(6-18)1-2-11(12)20-14(21)19/h1-5H,(H2,19,20)
InChIKeyQWRJNCRJMYQXME-UHFFFAOYSA-N
XLogP2.90
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile
CID 118938390
2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile
CID 104715125
2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile
CID 104714844
2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714937
2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile
CID 107809125
2-amino-3-[4-(cyanomethyl)phenyl]benzimidazole-5-carbonitrile
CID 104714998
2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714790
2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile
CID 104714764
2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile
CID 104714940
2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714757
2-amino-3-[1-(4-fluorophenyl)ethyl]benzimidazole-5-carbonitrile
CID 104714906
2-amino-3-(4-ethoxyphenyl)benzimidazole-5-carbonitrile
CID 104714758

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile (CID 104715108) is 2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile is N#Cc1ccc2nc(N)n(-c3c(F)cc(F)cc3F)c2c1.
What is the InChIKey of 2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile?
The InChIKey is QWRJNCRJMYQXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N4/c15-8-4-9(16)13(10(17)5-8)21-12-3-7(6-18)1-2-11(12)20-14(21)19/h1-5H,(H2,19,20).
What are the key properties of 2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile?
2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile has a molecular weight of 288.23 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 104715108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).