2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole

C11H19N3O — CID 123399244

IUPAC2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole
SMILESCOCC1CC(c2ncc(C)[nH]2)N(C)C1
InChIInChI=1S/C11H19N3O/c1-8-5-12-11(13-8)10-4-9(7-15-3)6-14(10)2/h5,9-10H,4,6-7H2,1-3H3,(H,12,13)
InChIKeyNOACXNPULPBKAF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.36
Rot. Bonds3

About 2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole

2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole (PubChem CID 123399244) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole
PubChem CID123399244
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole
SMILESCOCC1CC(c2ncc(C)[nH]2)N(C)C1
InChIInChI=1S/C11H19N3O/c1-8-5-12-11(13-8)10-4-9(7-15-3)6-14(10)2/h5,9-10H,4,6-7H2,1-3H3,(H,12,13)
InChIKeyNOACXNPULPBKAF-UHFFFAOYSA-N
XLogP1.36
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-2-oxa-7-azaspiro[4.5]decane
CID 72892323
1-(3-Methoxypropyl)-5-methyl-2-(pyrrolidin-3-YL)-1H-imidazole
CID 86820588
3-(1H-Imidazol-4-yl)propyl 4-methylpentyl ether
CID 10750963
2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole
CID 170722463
oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine
CID 102970438
ethyl 2-(5-methyl-1H-imidazol-2-yl)pentanoate
CID 20518041
5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
CID 58257402
5-Methyl-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazole
CID 58575068
tert-butyl (2S)-4-methyl-2-(4-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 68247643
5-methyl-2-[(2S,4S)-4-methylpyrrolidin-2-yl]-1H-imidazole
CID 68311495
tert-butyl (2S,4S)-4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 68311505
tert-butyl 4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 77436047

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole?
The IUPAC name of 2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole (CID 123399244) is 2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole.
What is the SMILES notation for 2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole?
The canonical SMILES for 2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole is COCC1CC(c2ncc(C)[nH]2)N(C)C1.
What is the InChIKey of 2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole?
The InChIKey is NOACXNPULPBKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-5-12-11(13-8)10-4-9(7-15-3)6-14(10)2/h5,9-10H,4,6-7H2,1-3H3,(H,12,13).
What are the key properties of 2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole?
2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole has a molecular weight of 209.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole is sourced from PubChem (CID 123399244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).