5-(3-bromo-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine

C13H15BrFN3 — CID 79510664

IUPAC5-(3-bromo-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2ccc(F)c(Br)c2)CN=C(N)N1C1CC1
InChIInChI=1S/C13H15BrFN3/c1-13(8-2-5-11(15)10(14)6-8)7-17-12(16)18(13)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H2,16,17)
InChIKeyGVWYNBQWDVYOAW-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.60
Rot. Bonds2

About 5-(3-bromo-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine

5-(3-bromo-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine (PubChem CID 79510664) has the molecular formula C13H15BrFN3 and a molecular weight of 312.19 g/mol. Its IUPAC name is 5-(3-bromo-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-bromo-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine
PubChem CID79510664
Molecular FormulaC13H15BrFN3
Molecular Weight312.19 g/mol
Exact Mass311.04
IUPAC Name5-(3-bromo-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2ccc(F)c(Br)c2)CN=C(N)N1C1CC1
InChIInChI=1S/C13H15BrFN3/c1-13(8-2-5-11(15)10(14)6-8)7-17-12(16)18(13)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H2,16,17)
InChIKeyGVWYNBQWDVYOAW-UHFFFAOYSA-N
XLogP2.60
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine
CID 82973719
5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
CID 79498282
1-cyclopropyl-5-(3,4-dimethylphenyl)-5-methyl-4H-imidazol-2-amine
CID 79509537
1-cyclopropyl-5-(3,4-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine
CID 79510201
5-(2-chloro-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine
CID 79509873
1-cyclopropyl-5-(2,5-dimethoxyphenyl)-5-methyl-4H-imidazol-2-amine
CID 79509754
5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine
CID 79510819
5-(3-chloro-4-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine
CID 79520713
5-(5-bromo-2-fluorophenyl)-1-(cyclopropylmethyl)-5-methyl-4H-imidazol-2-amine
CID 82973144
1-cyclopropyl-5-ethyl-5-(3-fluorophenyl)-4H-imidazol-2-amine
CID 114873226
5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79502661
5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine
CID 79509925

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(3-bromo-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine (CID 79510664) is 5-(3-bromo-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(3-bromo-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(3-bromo-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine is CC1(c2ccc(F)c(Br)c2)CN=C(N)N1C1CC1.
What is the InChIKey of 5-(3-bromo-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine?
The InChIKey is GVWYNBQWDVYOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3/c1-13(8-2-5-11(15)10(14)6-8)7-17-12(16)18(13)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H2,16,17).
What are the key properties of 5-(3-bromo-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine?
5-(3-bromo-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine has a molecular weight of 312.19 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79510664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).