1-[3-[(1S)-3,3-difluorocyclopentyl]propyl]-2-methylimidazole

C12H18F2N2 — CID 69050574

IUPAC1-[3-[(1S)-3,3-difluorocyclopentyl]propyl]-2-methylimidazole
SMILESCc1nccn1CCC[C@H]1CCC(F)(F)C1
InChIInChI=1S/C12H18F2N2/c1-10-15-6-8-16(10)7-2-3-11-4-5-12(13,14)9-11/h6,8,11H,2-5,7,9H2,1H3/t11-/m0/s1
InChIKeyHWARVIPJPZHQMK-NSHDSACASA-N
MW228.29 g/mol
LogP3.41
Rot. Bonds4

About 1-[3-[(1S)-3,3-difluorocyclopentyl]propyl]-2-methylimidazole

1-[3-[(1S)-3,3-difluorocyclopentyl]propyl]-2-methylimidazole (PubChem CID 69050574) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[3-[(1S)-3,3-difluorocyclopentyl]propyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[3-[(1S)-3,3-difluorocyclopentyl]propyl]-2-methylimidazole
PubChem CID69050574
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1-[3-[(1S)-3,3-difluorocyclopentyl]propyl]-2-methylimidazole
SMILESCc1nccn1CCC[C@H]1CCC(F)(F)C1
InChIInChI=1S/C12H18F2N2/c1-10-15-6-8-16(10)7-2-3-11-4-5-12(13,14)9-11/h6,8,11H,2-5,7,9H2,1H3/t11-/m0/s1
InChIKeyHWARVIPJPZHQMK-NSHDSACASA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1S)-3,3-difluorocyclopentyl]propyl]-2-methylimidazole?
The IUPAC name of 1-[3-[(1S)-3,3-difluorocyclopentyl]propyl]-2-methylimidazole (CID 69050574) is 1-[3-[(1S)-3,3-difluorocyclopentyl]propyl]-2-methylimidazole.
What is the SMILES notation for 1-[3-[(1S)-3,3-difluorocyclopentyl]propyl]-2-methylimidazole?
The canonical SMILES for 1-[3-[(1S)-3,3-difluorocyclopentyl]propyl]-2-methylimidazole is Cc1nccn1CCC[C@H]1CCC(F)(F)C1.
What is the InChIKey of 1-[3-[(1S)-3,3-difluorocyclopentyl]propyl]-2-methylimidazole?
The InChIKey is HWARVIPJPZHQMK-NSHDSACASA-N. The full InChI is InChI=1S/C12H18F2N2/c1-10-15-6-8-16(10)7-2-3-11-4-5-12(13,14)9-11/h6,8,11H,2-5,7,9H2,1H3/t11-/m0/s1.
What are the key properties of 1-[3-[(1S)-3,3-difluorocyclopentyl]propyl]-2-methylimidazole?
1-[3-[(1S)-3,3-difluorocyclopentyl]propyl]-2-methylimidazole has a molecular weight of 228.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1S)-3,3-difluorocyclopentyl]propyl]-2-methylimidazole is sourced from PubChem (CID 69050574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).