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

C10H16FN3 — CID 84774516

IUPAC4-(fluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
SMILESCc1[nH]c(CC2CCNC2)nc1CF
InChIInChI=1S/C10H16FN3/c1-7-9(5-11)14-10(13-7)4-8-2-3-12-6-8/h8,12H,2-6H2,1H3,(H,13,14)
InChIKeyMLUXZZJSNRVXBZ-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.34
Rot. Bonds3

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

4-(fluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole (PubChem CID 84774516) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 4-(fluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name4-(fluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
PubChem CID84774516
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name4-(fluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
SMILESCc1[nH]c(CC2CCNC2)nc1CF
InChIInChI=1S/C10H16FN3/c1-7-9(5-11)14-10(13-7)4-8-2-3-12-6-8/h8,12H,2-6H2,1H3,(H,13,14)
InChIKeyMLUXZZJSNRVXBZ-UHFFFAOYSA-N
XLogP1.34
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The IUPAC name of 4-(fluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole (CID 84774516) is 4-(fluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole.
What is the SMILES notation for 4-(fluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The canonical SMILES for 4-(fluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole is Cc1[nH]c(CC2CCNC2)nc1CF.
What is the InChIKey of 4-(fluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The InChIKey is MLUXZZJSNRVXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-7-9(5-11)14-10(13-7)4-8-2-3-12-6-8/h8,12H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-(fluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
4-(fluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole has a molecular weight of 197.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole is sourced from PubChem (CID 84774516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).