4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole

C10H17N3 — CID 89147179

IUPAC4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole
SMILESCc1cn(C[C@@H]2CCN(C)C2)cn1
InChIInChI=1S/C10H17N3/c1-9-5-13(8-11-9)7-10-3-4-12(2)6-10/h5,8,10H,3-4,6-7H2,1-2H3/t10-/m1/s1
InChIKeyIYVYKWAMVAZKME-SNVBAGLBSA-N
MW179.27 g/mol
LogP1.14
Rot. Bonds2

About 4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole

4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole (PubChem CID 89147179) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole.

Molecular Properties

Compound Name4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole
PubChem CID89147179
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole
SMILESCc1cn(C[C@@H]2CCN(C)C2)cn1
InChIInChI=1S/C10H17N3/c1-9-5-13(8-11-9)7-10-3-4-12(2)6-10/h5,8,10H,3-4,6-7H2,1-2H3/t10-/m1/s1
InChIKeyIYVYKWAMVAZKME-SNVBAGLBSA-N
XLogP1.14
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 114204050
(1S)-2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propan-1-amine;hydrochloride
CID 162313072
1-[(1-methylpiperidin-4-yl)methyl]-4-oxopyrimidine-5-carboxylic acid
CID 115114277
3-[(4-methylimidazol-1-yl)methyl]azepane
CID 18712989
3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline
CID 160890314
[2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propyl]carbamoyl formate
CID 138676004
bis(1-methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine);bis(1-methyl-4-[3-(5-methylimidazol-1-yl)propyl]piperidine)
CID 161238325
(3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine)
CID 157430547
N-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 114204155
4-[2-(4-methylimidazol-1-yl)ethyl]thiane 1,1-dioxide
CID 154972117
ethane;[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-methylborinic acid;methyl-[(3R)-3-[(4-methylimidazol-1-yl)methyl]piperidin-1-yl]borinic acid
CID 159186761
4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole
CID 155674758

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole?
The IUPAC name of 4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole (CID 89147179) is 4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole.
What is the SMILES notation for 4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole?
The canonical SMILES for 4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole is Cc1cn(C[C@@H]2CCN(C)C2)cn1.
What is the InChIKey of 4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole?
The InChIKey is IYVYKWAMVAZKME-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17N3/c1-9-5-13(8-11-9)7-10-3-4-12(2)6-10/h5,8,10H,3-4,6-7H2,1-2H3/t10-/m1/s1.
What are the key properties of 4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole?
4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole has a molecular weight of 179.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole is sourced from PubChem (CID 89147179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).