5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole

C9H14ClN3 — CID 117259141

IUPAC5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole
SMILESCN1CCC(c2ncc(Cl)n2C)C1
InChIInChI=1S/C9H14ClN3/c1-12-4-3-7(6-12)9-11-5-8(10)13(9)2/h5,7H,3-4,6H2,1-2H3
InChIKeyNIGFXFLQERKFRU-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.49
Rot. Bonds1

About 5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole

5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole (PubChem CID 117259141) has the molecular formula C9H14ClN3 and a molecular weight of 199.68 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole
PubChem CID117259141
Molecular FormulaC9H14ClN3
Molecular Weight199.68 g/mol
Exact Mass199.09
IUPAC Name5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole
SMILESCN1CCC(c2ncc(Cl)n2C)C1
InChIInChI=1S/C9H14ClN3/c1-12-4-3-7(6-12)9-11-5-8(10)13(9)2/h5,7H,3-4,6H2,1-2H3
InChIKeyNIGFXFLQERKFRU-UHFFFAOYSA-N
XLogP1.49
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine
CID 117259172
8-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine
CID 117146223
4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine
CID 117259842
5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 130490939
3-(3,4-dichlorophenyl)-1-methylpyrrolidine
CID 67174764
3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117151871
2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144853
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515349
1-chloro-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine
CID 117250338
3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147381
4-chloro-3-methoxy-6-(1-methylpyrrolidin-3-yl)pyridazine
CID 117105117
[2-(5-chloro-1-methylimidazol-2-yl)-1-propylpyrrolidin-3-yl]methanamine
CID 114239520

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole?
The IUPAC name of 5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole (CID 117259141) is 5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole is CN1CCC(c2ncc(Cl)n2C)C1.
What is the InChIKey of 5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole?
The InChIKey is NIGFXFLQERKFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-12-4-3-7(6-12)9-11-5-8(10)13(9)2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole?
5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole has a molecular weight of 199.68 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 117259141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).