N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine

C12H13ClFN3 — CID 107532048

IUPACN-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine
SMILESCCCn1ccnc1Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H13ClFN3/c1-2-6-17-7-5-15-12(17)16-11-8-9(14)3-4-10(11)13/h3-5,7-8H,2,6H2,1H3,(H,15,16)
InChIKeyHCTVRHALZSZLCA-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.83
Rot. Bonds4

About N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine

N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine (PubChem CID 107532048) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine
PubChem CID107532048
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC NameN-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine
SMILESCCCn1ccnc1Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H13ClFN3/c1-2-6-17-7-5-15-12(17)16-11-8-9(14)3-4-10(11)13/h3-5,7-8H,2,6H2,1H3,(H,15,16)
InChIKeyHCTVRHALZSZLCA-UHFFFAOYSA-N
XLogP3.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-1-propylimidazol-2-amine
CID 106557576
N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine
CID 107628372
N-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine
CID 107581375
N-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine
CID 106554348
N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine
CID 106571125
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]-5-fluoroaniline
CID 113255916
1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine
CID 107605158
1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine
CID 106554378
N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106563995
N-(2-chlorophenyl)-1-ethylimidazol-2-amine
CID 106558776
N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine
CID 107618171
N-(3,5-dimethylphenyl)-1-propylimidazol-2-amine
CID 106559204

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine (CID 107532048) is N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine is CCCn1ccnc1Nc1cc(F)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine?
The InChIKey is HCTVRHALZSZLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-2-6-17-7-5-15-12(17)16-11-8-9(14)3-4-10(11)13/h3-5,7-8H,2,6H2,1H3,(H,15,16).
What are the key properties of N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine?
N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine has a molecular weight of 253.71 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine is sourced from PubChem (CID 107532048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).