1-methyl-2-[(2-propylpyrrolidin-2-yl)methyl]imidazole

C12H21N3 — CID 79760630

IUPAC1-methyl-2-[(2-propylpyrrolidin-2-yl)methyl]imidazole
SMILESCCCC1(Cc2nccn2C)CCCN1
InChIInChI=1S/C12H21N3/c1-3-5-12(6-4-7-14-12)10-11-13-8-9-15(11)2/h8-9,14H,3-7,10H2,1-2H3
InChIKeyAELKFHLKYHJXEU-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.88
Rot. Bonds4

About 1-methyl-2-[(2-propylpyrrolidin-2-yl)methyl]imidazole

1-methyl-2-[(2-propylpyrrolidin-2-yl)methyl]imidazole (PubChem CID 79760630) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-methyl-2-[(2-propylpyrrolidin-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[(2-propylpyrrolidin-2-yl)methyl]imidazole
PubChem CID79760630
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-methyl-2-[(2-propylpyrrolidin-2-yl)methyl]imidazole
SMILESCCCC1(Cc2nccn2C)CCCN1
InChIInChI=1S/C12H21N3/c1-3-5-12(6-4-7-14-12)10-11-13-8-9-15(11)2/h8-9,14H,3-7,10H2,1-2H3
InChIKeyAELKFHLKYHJXEU-UHFFFAOYSA-N
XLogP1.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.88
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-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole
CID 79761396
2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propylazepane
CID 79119255
1-methyl-2-(2-propylpyrrolidin-2-yl)imidazole
CID 66467396
2,2-dipropylpyrrolidine
CID 13332418
4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole
CID 66468066
(2R)-2-benzyl-2-propylpyrrolidine
CID 124511321
2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-propylazepane
CID 79117211
2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane
CID 79761287
3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114533123
1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole
CID 103010970
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-propylazepane
CID 79118751

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2-propylpyrrolidin-2-yl)methyl]imidazole?
The IUPAC name of 1-methyl-2-[(2-propylpyrrolidin-2-yl)methyl]imidazole (CID 79760630) is 1-methyl-2-[(2-propylpyrrolidin-2-yl)methyl]imidazole.
What is the SMILES notation for 1-methyl-2-[(2-propylpyrrolidin-2-yl)methyl]imidazole?
The canonical SMILES for 1-methyl-2-[(2-propylpyrrolidin-2-yl)methyl]imidazole is CCCC1(Cc2nccn2C)CCCN1.
What is the InChIKey of 1-methyl-2-[(2-propylpyrrolidin-2-yl)methyl]imidazole?
The InChIKey is AELKFHLKYHJXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-5-12(6-4-7-14-12)10-11-13-8-9-15(11)2/h8-9,14H,3-7,10H2,1-2H3.
What are the key properties of 1-methyl-2-[(2-propylpyrrolidin-2-yl)methyl]imidazole?
1-methyl-2-[(2-propylpyrrolidin-2-yl)methyl]imidazole has a molecular weight of 207.32 g/mol, XLogP of 1.88, 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-propylpyrrolidin-2-yl)methyl]imidazole is sourced from PubChem (CID 79760630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).