5-methyl-1-propan-2-yl-2-(pyrrolidin-3-ylmethyl)imidazole

C12H21N3 — CID 90488072

IUPAC5-methyl-1-propan-2-yl-2-(pyrrolidin-3-ylmethyl)imidazole
SMILESCc1cnc(CC2CCNC2)n1C(C)C
InChIInChI=1S/C12H21N3/c1-9(2)15-10(3)7-14-12(15)6-11-4-5-13-8-11/h7,9,11,13H,4-6,8H2,1-3H3
InChIKeyFIWQMZAJZZVQBZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.92
Rot. Bonds3

About 5-methyl-1-propan-2-yl-2-(pyrrolidin-3-ylmethyl)imidazole

5-methyl-1-propan-2-yl-2-(pyrrolidin-3-ylmethyl)imidazole (PubChem CID 90488072) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-2-(pyrrolidin-3-ylmethyl)imidazole.

Molecular Properties

Compound Name5-methyl-1-propan-2-yl-2-(pyrrolidin-3-ylmethyl)imidazole
PubChem CID90488072
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-methyl-1-propan-2-yl-2-(pyrrolidin-3-ylmethyl)imidazole
SMILESCc1cnc(CC2CCNC2)n1C(C)C
InChIInChI=1S/C12H21N3/c1-9(2)15-10(3)7-14-12(15)6-11-4-5-13-8-11/h7,9,11,13H,4-6,8H2,1-3H3
InChIKeyFIWQMZAJZZVQBZ-UHFFFAOYSA-N
XLogP1.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-yl-2-(pyrrolidin-3-ylmethyl)imidazole?
The IUPAC name of 5-methyl-1-propan-2-yl-2-(pyrrolidin-3-ylmethyl)imidazole (CID 90488072) is 5-methyl-1-propan-2-yl-2-(pyrrolidin-3-ylmethyl)imidazole.
What is the SMILES notation for 5-methyl-1-propan-2-yl-2-(pyrrolidin-3-ylmethyl)imidazole?
The canonical SMILES for 5-methyl-1-propan-2-yl-2-(pyrrolidin-3-ylmethyl)imidazole is Cc1cnc(CC2CCNC2)n1C(C)C.
What is the InChIKey of 5-methyl-1-propan-2-yl-2-(pyrrolidin-3-ylmethyl)imidazole?
The InChIKey is FIWQMZAJZZVQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)15-10(3)7-14-12(15)6-11-4-5-13-8-11/h7,9,11,13H,4-6,8H2,1-3H3.
What are the key properties of 5-methyl-1-propan-2-yl-2-(pyrrolidin-3-ylmethyl)imidazole?
5-methyl-1-propan-2-yl-2-(pyrrolidin-3-ylmethyl)imidazole has a molecular weight of 207.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-yl-2-(pyrrolidin-3-ylmethyl)imidazole is sourced from PubChem (CID 90488072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).