5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine

C14H11ClFN3 — CID 43659478

IUPAC5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine
SMILESCc1ccc(-n2c(N)nc3cc(Cl)ccc32)c(F)c1
InChIInChI=1S/C14H11ClFN3/c1-8-2-4-12(10(16)6-8)19-13-5-3-9(15)7-11(13)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyZOMYUWFSSZIZAU-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.71
Rot. Bonds1

About 5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine

5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine (PubChem CID 43659478) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine
PubChem CID43659478
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine
SMILESCc1ccc(-n2c(N)nc3cc(Cl)ccc32)c(F)c1
InChIInChI=1S/C14H11ClFN3/c1-8-2-4-12(10(16)6-8)19-13-5-3-9(15)7-11(13)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyZOMYUWFSSZIZAU-UHFFFAOYSA-N
XLogP3.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine (CID 43659478) is 5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine is Cc1ccc(-n2c(N)nc3cc(Cl)ccc32)c(F)c1.
What is the InChIKey of 5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine?
The InChIKey is ZOMYUWFSSZIZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c1-8-2-4-12(10(16)6-8)19-13-5-3-9(15)7-11(13)18-14(19)17/h2-7H,1H3,(H2,17,18).
What are the key properties of 5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine?
5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine has a molecular weight of 275.71 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 43659478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).