1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine

C14H10BrF2N3 — CID 115508690

IUPAC1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine
SMILESCc1ccc(Br)cc1-n1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C14H10BrF2N3/c1-7-2-3-8(15)4-11(7)20-12-6-9(16)5-10(17)13(12)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyBLFBXQAGEUVXTM-UHFFFAOYSA-N
MW338.16 g/mol
LogP3.96
Rot. Bonds1

About 1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine

1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine (PubChem CID 115508690) has the molecular formula C14H10BrF2N3 and a molecular weight of 338.16 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine
PubChem CID115508690
Molecular FormulaC14H10BrF2N3
Molecular Weight338.16 g/mol
Exact Mass337.00
IUPAC Name1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine
SMILESCc1ccc(Br)cc1-n1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C14H10BrF2N3/c1-7-2-3-8(15)4-11(7)20-12-6-9(16)5-10(17)13(12)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyBLFBXQAGEUVXTM-UHFFFAOYSA-N
XLogP3.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508680
2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile
CID 107799605
1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107613935
4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
CID 115508935
1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508622
5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine
CID 107593051
4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile
CID 107791691
1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107637379
1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508632
5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine
CID 43661666
6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine
CID 116738051
1-(3,5-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508643

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine (CID 115508690) is 1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine is Cc1ccc(Br)cc1-n1c(N)nc2c(F)cc(F)cc21.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine?
The InChIKey is BLFBXQAGEUVXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3/c1-7-2-3-8(15)4-11(7)20-12-6-9(16)5-10(17)13(12)19-14(20)18/h2-6H,1H3,(H2,18,19).
What are the key properties of 1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine?
1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine has a molecular weight of 338.16 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine is sourced from PubChem (CID 115508690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).