2-[4-(methoxymethyl)pyrrolidin-2-yl]-5-propan-2-yl-1H-imidazole

C12H21N3O — CID 123994313

IUPAC2-[4-(methoxymethyl)pyrrolidin-2-yl]-5-propan-2-yl-1H-imidazole
SMILESCOCC1CNC(c2ncc(C(C)C)[nH]2)C1
InChIInChI=1S/C12H21N3O/c1-8(2)11-6-14-12(15-11)10-4-9(5-13-10)7-16-3/h6,8-10,13H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyMSVZOZXESSCOMD-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.83
Rot. Bonds4

About 2-[4-(methoxymethyl)pyrrolidin-2-yl]-5-propan-2-yl-1H-imidazole

2-[4-(methoxymethyl)pyrrolidin-2-yl]-5-propan-2-yl-1H-imidazole (PubChem CID 123994313) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)pyrrolidin-2-yl]-5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-[4-(methoxymethyl)pyrrolidin-2-yl]-5-propan-2-yl-1H-imidazole
PubChem CID123994313
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[4-(methoxymethyl)pyrrolidin-2-yl]-5-propan-2-yl-1H-imidazole
SMILESCOCC1CNC(c2ncc(C(C)C)[nH]2)C1
InChIInChI=1S/C12H21N3O/c1-8(2)11-6-14-12(15-11)10-4-9(5-13-10)7-16-3/h6,8-10,13H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyMSVZOZXESSCOMD-UHFFFAOYSA-N
XLogP1.83
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)pyrrolidin-2-yl]-5-propan-2-yl-1H-imidazole?
The IUPAC name of 2-[4-(methoxymethyl)pyrrolidin-2-yl]-5-propan-2-yl-1H-imidazole (CID 123994313) is 2-[4-(methoxymethyl)pyrrolidin-2-yl]-5-propan-2-yl-1H-imidazole.
What is the SMILES notation for 2-[4-(methoxymethyl)pyrrolidin-2-yl]-5-propan-2-yl-1H-imidazole?
The canonical SMILES for 2-[4-(methoxymethyl)pyrrolidin-2-yl]-5-propan-2-yl-1H-imidazole is COCC1CNC(c2ncc(C(C)C)[nH]2)C1.
What is the InChIKey of 2-[4-(methoxymethyl)pyrrolidin-2-yl]-5-propan-2-yl-1H-imidazole?
The InChIKey is MSVZOZXESSCOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)11-6-14-12(15-11)10-4-9(5-13-10)7-16-3/h6,8-10,13H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of 2-[4-(methoxymethyl)pyrrolidin-2-yl]-5-propan-2-yl-1H-imidazole?
2-[4-(methoxymethyl)pyrrolidin-2-yl]-5-propan-2-yl-1H-imidazole has a molecular weight of 223.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)pyrrolidin-2-yl]-5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 123994313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).