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

C12H13ClFN3 — CID 106554381

IUPAC1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine
SMILESCCCNc1nccn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H13ClFN3/c1-2-5-15-12-16-6-7-17(12)9-3-4-11(14)10(13)8-9/h3-4,6-8H,2,5H2,1H3,(H,15,16)
InChIKeyBTBFLPOPLGGFCB-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.49
Rot. Bonds4

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

1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine (PubChem CID 106554381) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine
PubChem CID106554381
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine
SMILESCCCNc1nccn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H13ClFN3/c1-2-5-15-12-16-6-7-17(12)9-3-4-11(14)10(13)8-9/h3-4,6-8H,2,5H2,1H3,(H,15,16)
InChIKeyBTBFLPOPLGGFCB-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine
CID 106557266
N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine
CID 106558157
1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-propylimidazol-2-amine
CID 107336932
[1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine
CID 82287676
3-(benzylamino)-1-(3-chloro-4-fluorophenyl)pyrazin-2-one
CID 46337507
1-(3-chloro-4-fluorophenyl)imidazole-2-carbaldehyde
CID 156500377
1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106576622
1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106555469
N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556796
N-(3-chloro-4-fluorophenyl)-1-propylimidazol-2-amine
CID 106554348
N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62539605
1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one
CID 20941648

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine (CID 106554381) is 1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine is CCCNc1nccn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine?
The InChIKey is BTBFLPOPLGGFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-2-5-15-12-16-6-7-17(12)9-3-4-11(14)10(13)8-9/h3-4,6-8H,2,5H2,1H3,(H,15,16).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine?
1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine has a molecular weight of 253.71 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine is sourced from PubChem (CID 106554381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).