3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine

C12H13ClFN3 — CID 116876929

IUPAC3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(-c2cc(Cl)ccc2F)[nH]1
InChIInChI=1S/C12H13ClFN3/c13-8-3-4-10(14)9(6-8)11-7-16-12(17-11)2-1-5-15/h3-4,6-7H,1-2,5,15H2,(H,16,17)
InChIKeyRFUMVWKFCYJUIN-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.76
Rot. Bonds4

About 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine

3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 116876929) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID116876929
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(-c2cc(Cl)ccc2F)[nH]1
InChIInChI=1S/C12H13ClFN3/c13-8-3-4-10(14)9(6-8)11-7-16-12(17-11)2-1-5-15/h3-4,6-7H,1-2,5,15H2,(H,16,17)
InChIKeyRFUMVWKFCYJUIN-UHFFFAOYSA-N
XLogP2.76
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol
CID 116878459
[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]methanol
CID 116878314
5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651166
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650814
2-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]acetonitrile
CID 116880048
5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651162
3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876927
5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651189
3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650816
6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine
CID 83125480
3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116877050
5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651179

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine (CID 116876929) is 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine is NCCCc1ncc(-c2cc(Cl)ccc2F)[nH]1.
What is the InChIKey of 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is RFUMVWKFCYJUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c13-8-3-4-10(14)9(6-8)11-7-16-12(17-11)2-1-5-15/h3-4,6-7H,1-2,5,15H2,(H,16,17).
What are the key properties of 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine?
3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 253.71 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 116876929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).