N-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine

C12H13ClFN3 — CID 106554348

IUPACN-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine
SMILESCCCn1ccnc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H13ClFN3/c1-2-6-17-7-5-15-12(17)16-9-3-4-11(14)10(13)8-9/h3-5,7-8H,2,6H2,1H3,(H,15,16)
InChIKeyDOKUXBCDNDMDHB-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.83
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine (PubChem CID 106554348) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine
PubChem CID106554348
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine
SMILESCCCn1ccnc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H13ClFN3/c1-2-6-17-7-5-15-12(17)16-9-3-4-11(14)10(13)8-9/h3-5,7-8H,2,6H2,1H3,(H,15,16)
InChIKeyDOKUXBCDNDMDHB-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

1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine
CID 106554378
N-(3,4-dichlorophenyl)-1-propylimidazol-2-amine
CID 106557576
N-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine
CID 107581375
N-(2-chloro-5-fluorophenyl)-1-propylimidazol-2-amine
CID 107532048
N-(4-bromo-3-chlorophenyl)-1-ethylimidazol-2-amine
CID 107618236
N-(3,5-dimethylphenyl)-1-propylimidazol-2-amine
CID 106559204
1-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106563760
N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine
CID 107605154
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106563769
N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62539605
1-butyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557363
N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106558420

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine (CID 106554348) is N-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine is CCCn1ccnc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine?
The InChIKey is DOKUXBCDNDMDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-2-6-17-7-5-15-12(17)16-9-3-4-11(14)10(13)8-9/h3-5,7-8H,2,6H2,1H3,(H,15,16).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine?
N-(3-chloro-4-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-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine is sourced from PubChem (CID 106554348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).