1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine

C13H15ClFN3 — CID 106554378

IUPAC1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine
SMILESCCCCn1ccnc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H15ClFN3/c1-2-3-7-18-8-6-16-13(18)17-10-4-5-12(15)11(14)9-10/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)
InChIKeyJHTPDRDOWLIQSU-UHFFFAOYSA-N
MW267.74 g/mol
LogP4.22
Rot. Bonds5

About 1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine

1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine (PubChem CID 106554378) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine
PubChem CID106554378
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine
SMILESCCCCn1ccnc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H15ClFN3/c1-2-3-7-18-8-6-16-13(18)17-10-4-5-12(15)11(14)9-10/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)
InChIKeyJHTPDRDOWLIQSU-UHFFFAOYSA-N
XLogP4.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine
CID 106554348
N-(3,4-dichlorophenyl)-1-propylimidazol-2-amine
CID 106557576
N-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine
CID 107581375
1-butyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557363
1-butyl-N-(3-methylphenyl)imidazol-2-amine
CID 106560213
N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine
CID 107618171
N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine
CID 106574076
1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine
CID 107605158
N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine
CID 107581491
N-(4-bromo-3-chlorophenyl)-1-ethylimidazol-2-amine
CID 107618236
1-octyl-N-phenylimidazol-2-amine
CID 106578848
1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106563760

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine?
The IUPAC name of 1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine (CID 106554378) is 1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine?
The canonical SMILES for 1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine is CCCCn1ccnc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine?
The InChIKey is JHTPDRDOWLIQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-2-3-7-18-8-6-16-13(18)17-10-4-5-12(15)11(14)9-10/h4-6,8-9H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine?
1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine has a molecular weight of 267.74 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine is sourced from PubChem (CID 106554378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).