5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine

C15H14ClN3 — CID 43659458

IUPAC5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine
SMILESCc1cc(C)cc(-n2c(N)nc3cc(Cl)ccc32)c1
InChIInChI=1S/C15H14ClN3/c1-9-5-10(2)7-12(6-9)19-14-4-3-11(16)8-13(14)18-15(19)17/h3-8H,1-2H3,(H2,17,18)
InChIKeyIJMNAUOCZMZDAN-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.88
Rot. Bonds1

About 5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine

5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine (PubChem CID 43659458) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine
PubChem CID43659458
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine
SMILESCc1cc(C)cc(-n2c(N)nc3cc(Cl)ccc32)c1
InChIInChI=1S/C15H14ClN3/c1-9-5-10(2)7-12(6-9)19-14-4-3-11(16)8-13(14)18-15(19)17/h3-8H,1-2H3,(H2,17,18)
InChIKeyIJMNAUOCZMZDAN-UHFFFAOYSA-N
XLogP3.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine (CID 43659458) is 5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine is Cc1cc(C)cc(-n2c(N)nc3cc(Cl)ccc32)c1.
What is the InChIKey of 5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine?
The InChIKey is IJMNAUOCZMZDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-9-5-10(2)7-12(6-9)19-14-4-3-11(16)8-13(14)18-15(19)17/h3-8H,1-2H3,(H2,17,18).
What are the key properties of 5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine?
5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine has a molecular weight of 271.75 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 43659458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).