N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine

C13H14BrClFN3 — CID 107618171

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine
SMILESCCCCn1ccnc1Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C13H14BrClFN3/c1-2-3-5-19-6-4-17-13(19)18-12-10(14)7-9(16)8-11(12)15/h4,6-8H,2-3,5H2,1H3,(H,17,18)
InChIKeyYJZMBKKSLJPBMS-UHFFFAOYSA-N
MW346.63 g/mol
LogP4.98
Rot. Bonds5

About N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine

N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine (PubChem CID 107618171) has the molecular formula C13H14BrClFN3 and a molecular weight of 346.63 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine
PubChem CID107618171
Molecular FormulaC13H14BrClFN3
Molecular Weight346.63 g/mol
Exact Mass345.00
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine
SMILESCCCCn1ccnc1Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C13H14BrClFN3/c1-2-3-5-19-6-4-17-13(19)18-12-10(14)7-9(16)8-11(12)15/h4,6-8H,2-3,5H2,1H3,(H,17,18)
InChIKeyYJZMBKKSLJPBMS-UHFFFAOYSA-N
XLogP4.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.63
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine
CID 106574076
N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine
CID 107628372
N-(2-bromo-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106561351
N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106578712
1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine
CID 106554378
N-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106578727
N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine
CID 107581491
N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine
CID 107605154
1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine
CID 107605158
N-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine
CID 107581375
N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine
CID 107532048
1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine
CID 106583543

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine (CID 107618171) is N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine is CCCCn1ccnc1Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine?
The InChIKey is YJZMBKKSLJPBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClFN3/c1-2-3-5-19-6-4-17-13(19)18-12-10(14)7-9(16)8-11(12)15/h4,6-8H,2-3,5H2,1H3,(H,17,18).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine has a molecular weight of 346.63 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine is sourced from PubChem (CID 107618171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).