1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole

C13H23N3 — CID 79761396

IUPAC1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole
SMILESCC(C)CC1(Cc2nccn2C)CCCN1
InChIInChI=1S/C13H23N3/c1-11(2)9-13(5-4-6-15-13)10-12-14-7-8-16(12)3/h7-8,11,15H,4-6,9-10H2,1-3H3
InChIKeyVLHMENCJFJUMMW-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.13
Rot. Bonds4

About 1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole

1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole (PubChem CID 79761396) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole
PubChem CID79761396
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole
SMILESCC(C)CC1(Cc2nccn2C)CCCN1
InChIInChI=1S/C13H23N3/c1-11(2)9-13(5-4-6-15-13)10-12-14-7-8-16(12)3/h7-8,11,15H,4-6,9-10H2,1-3H3
InChIKeyVLHMENCJFJUMMW-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylimidazole
CID 79760494
1-methyl-2-[(2-propylpyrrolidin-2-yl)methyl]imidazole
CID 79760630
6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline
CID 104688379
1-cyclopentyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 66467443
2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 82922545
2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 66467441
2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 105411975
4-tert-butyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]-1,3-thiazole
CID 79818155
[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine
CID 126971916
1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 79744907
2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol
CID 115058920
1-ethyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]indazole
CID 66466531

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole?
The IUPAC name of 1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole (CID 79761396) is 1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole.
What is the SMILES notation for 1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole?
The canonical SMILES for 1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole is CC(C)CC1(Cc2nccn2C)CCCN1.
What is the InChIKey of 1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole?
The InChIKey is VLHMENCJFJUMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)9-13(5-4-6-15-13)10-12-14-7-8-16(12)3/h7-8,11,15H,4-6,9-10H2,1-3H3.
What are the key properties of 1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole?
1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole has a molecular weight of 221.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole is sourced from PubChem (CID 79761396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).