2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile

C14H8BrFN4 — CID 104714844

IUPAC2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(-c3cc(Br)ccc3F)c2c1
InChIInChI=1S/C14H8BrFN4/c15-9-2-3-10(16)12(6-9)20-13-5-8(7-17)1-4-11(13)19-14(20)18/h1-6H,(H2,18,19)
InChIKeyCGLBMWFVUBUUMS-UHFFFAOYSA-N
MW331.15 g/mol
LogP3.38
Rot. Bonds1

About 2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile

2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile (PubChem CID 104714844) has the molecular formula C14H8BrFN4 and a molecular weight of 331.15 g/mol. Its IUPAC name is 2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile
PubChem CID104714844
Molecular FormulaC14H8BrFN4
Molecular Weight331.15 g/mol
Exact Mass329.99
IUPAC Name2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(-c3cc(Br)ccc3F)c2c1
InChIInChI=1S/C14H8BrFN4/c15-9-2-3-10(16)12(6-9)20-13-5-8(7-17)1-4-11(13)19-14(20)18/h1-6H,(H2,18,19)
InChIKeyCGLBMWFVUBUUMS-UHFFFAOYSA-N
XLogP3.38
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
CID 104715108
2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile
CID 104715125
2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile
CID 65345207
2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile
CID 107809125
6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
CID 102854258
2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile
CID 118938390
2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714937
6-chloro-1-(2,5-dibromophenyl)benzimidazol-2-amine
CID 115470480
2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714757
1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508680
2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile
CID 104714940
2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)benzimidazole-5-carbonitrile
CID 104715399

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile (CID 104714844) is 2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile is N#Cc1ccc2nc(N)n(-c3cc(Br)ccc3F)c2c1.
What is the InChIKey of 2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile?
The InChIKey is CGLBMWFVUBUUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN4/c15-9-2-3-10(16)12(6-9)20-13-5-8(7-17)1-4-11(13)19-14(20)18/h1-6H,(H2,18,19).
What are the key properties of 2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile?
2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile has a molecular weight of 331.15 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 104714844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).