2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine

C12H15FN4 — CID 112585762

IUPAC2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
SMILESCc1[nH]c(C(C)CN)nc1-c1ccc(F)cn1
InChIInChI=1S/C12H15FN4/c1-7(5-14)12-16-8(2)11(17-12)10-4-3-9(13)6-15-10/h3-4,6-7H,5,14H2,1-2H3,(H,16,17)
InChIKeyRSPCTMFLJUNXOA-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.98
Rot. Bonds3

About 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine

2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine (PubChem CID 112585762) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
PubChem CID112585762
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
SMILESCc1[nH]c(C(C)CN)nc1-c1ccc(F)cn1
InChIInChI=1S/C12H15FN4/c1-7(5-14)12-16-8(2)11(17-12)10-4-3-9(13)6-15-10/h3-4,6-7H,5,14H2,1-2H3,(H,16,17)
InChIKeyRSPCTMFLJUNXOA-UHFFFAOYSA-N
XLogP1.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65232861
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 112585736
4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde
CID 112586582
2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65233278
N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methoxyethanamine
CID 112586586
2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65233339
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 112583390
[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methanamine
CID 83129731
(2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542551
2-[[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-methylpentan-1-amine
CID 83124915
(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
CID 170910887
5-ethyl-2-(5-fluoro-2-pyridinyl)-6-methyl-1H-pyrimidine-4-thione
CID 106476856

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine (CID 112585762) is 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine is Cc1[nH]c(C(C)CN)nc1-c1ccc(F)cn1.
What is the InChIKey of 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is RSPCTMFLJUNXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-7(5-14)12-16-8(2)11(17-12)10-4-3-9(13)6-15-10/h3-4,6-7H,5,14H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 234.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 112585762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).