5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine

C11H13ClFN3 — CID 79510819

IUPAC5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine
SMILESCN1C(N)=NCC1(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFN3/c1-11(6-15-10(14)16(11)2)7-3-4-9(13)8(12)5-7/h3-5H,6H2,1-2H3,(H2,14,15)
InChIKeyYOXMTNKCFGKVER-UHFFFAOYSA-N
MW241.70 g/mol
LogP1.95
Rot. Bonds1

About 5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine

5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine (PubChem CID 79510819) has the molecular formula C11H13ClFN3 and a molecular weight of 241.70 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine
PubChem CID79510819
Molecular FormulaC11H13ClFN3
Molecular Weight241.70 g/mol
Exact Mass241.08
IUPAC Name5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine
SMILESCN1C(N)=NCC1(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFN3/c1-11(6-15-10(14)16(11)2)7-3-4-9(13)8(12)5-7/h3-5H,6H2,1-2H3,(H2,14,15)
InChIKeyYOXMTNKCFGKVER-UHFFFAOYSA-N
XLogP1.95
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine
CID 79520713
5-[4-(dimethylamino)phenyl]-1,5-dimethyl-4H-imidazol-2-amine
CID 79510351
1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79502372
5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
CID 79498282
5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79498038
1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
CID 129033048
[1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol
CID 143403316
5-(2,4-dichloro-5-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79496902
1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine
CID 116963646
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine
CID 79509873
5-(2,5-dichlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79498225

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine (CID 79510819) is 5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine is CN1C(N)=NCC1(C)c1ccc(F)c(Cl)c1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine?
The InChIKey is YOXMTNKCFGKVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3/c1-11(6-15-10(14)16(11)2)7-3-4-9(13)8(12)5-7/h3-5H,6H2,1-2H3,(H2,14,15).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine?
5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine has a molecular weight of 241.70 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine is sourced from PubChem (CID 79510819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).