4-(difluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole

C10H15F2N3 — CID 84783912

IUPAC4-(difluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
SMILESCc1[nH]c(CC2CCNC2)nc1C(F)F
InChIInChI=1S/C10H15F2N3/c1-6-9(10(11)12)15-8(14-6)4-7-2-3-13-5-7/h7,10,13H,2-5H2,1H3,(H,14,15)
InChIKeyGHFNOZHADPAJGF-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.81
Rot. Bonds3

About 4-(difluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole

4-(difluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole (PubChem CID 84783912) has the molecular formula C10H15F2N3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
PubChem CID84783912
Molecular FormulaC10H15F2N3
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-(difluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
SMILESCc1[nH]c(CC2CCNC2)nc1C(F)F
InChIInChI=1S/C10H15F2N3/c1-6-9(10(11)12)15-8(14-6)4-7-2-3-13-5-7/h7,10,13H,2-5H2,1H3,(H,14,15)
InChIKeyGHFNOZHADPAJGF-UHFFFAOYSA-N
XLogP1.81
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The IUPAC name of 4-(difluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole (CID 84783912) is 4-(difluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole.
What is the SMILES notation for 4-(difluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The canonical SMILES for 4-(difluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole is Cc1[nH]c(CC2CCNC2)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The InChIKey is GHFNOZHADPAJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3/c1-6-9(10(11)12)15-8(14-6)4-7-2-3-13-5-7/h7,10,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-(difluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
4-(difluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole has a molecular weight of 215.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole is sourced from PubChem (CID 84783912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).