5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine

C10H11ClFN3 — CID 114489420

IUPAC5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1C(N)=NCC1c1cccc(Cl)c1F
InChIInChI=1S/C10H11ClFN3/c1-15-8(5-14-10(15)13)6-3-2-4-7(11)9(6)12/h2-4,8H,5H2,1H3,(H2,13,14)
InChIKeyYRGXNOWDVMQHOM-UHFFFAOYSA-N
MW227.67 g/mol
LogP1.78
Rot. Bonds1

About 5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine

5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 114489420) has the molecular formula C10H11ClFN3 and a molecular weight of 227.67 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID114489420
Molecular FormulaC10H11ClFN3
Molecular Weight227.67 g/mol
Exact Mass227.06
IUPAC Name5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1C(N)=NCC1c1cccc(Cl)c1F
InChIInChI=1S/C10H11ClFN3/c1-15-8(5-14-10(15)13)6-3-2-4-7(11)9(6)12/h2-4,8H,5H2,1H3,(H2,13,14)
InChIKeyYRGXNOWDVMQHOM-UHFFFAOYSA-N
XLogP1.78
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-difluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 79510039
5-(5-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 114867691
5-(2-chlorophenyl)-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79514500
5-(1,3-dimethylpyrazol-4-yl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 83094738
1-(cyclopropylmethyl)-5-(2,3-dichlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79521672
5-(3-bromo-4-chlorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 83241409
1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79509654
1-(2-chlorophenyl)-5-(2,6-difluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79499907
5-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79502934
5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 130490939
3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine
CID 67173873
5-(2-chlorophenyl)-1-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79502499

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine (CID 114489420) is 5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine is CN1C(N)=NCC1c1cccc(Cl)c1F.
What is the InChIKey of 5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is YRGXNOWDVMQHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3/c1-15-8(5-14-10(15)13)6-3-2-4-7(11)9(6)12/h2-4,8H,5H2,1H3,(H2,13,14).
What are the key properties of 5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine?
5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 227.67 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 114489420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).