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

C10H17N3 — CID 23396989

IUPAC5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]-1H-imidazole
SMILESCc1[nH]cnc1CN1CCC(C)C1
InChIInChI=1S/C10H17N3/c1-8-3-4-13(5-8)6-10-9(2)11-7-12-10/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyHPQJFWIVFIRKFR-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.56
Rot. Bonds2

About 5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]-1H-imidazole

5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]-1H-imidazole (PubChem CID 23396989) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]-1H-imidazole
PubChem CID23396989
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]-1H-imidazole
SMILESCc1[nH]cnc1CN1CCC(C)C1
InChIInChI=1S/C10H17N3/c1-8-3-4-13(5-8)6-10-9(2)11-7-12-10/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyHPQJFWIVFIRKFR-UHFFFAOYSA-N
XLogP1.56
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20393968
1H,4H,5H,6H-pyrrolo[3,4-d]imidazole dihydrochloride
CID 91759504
3-Isopentylpurin-6-amine
CID 135435072
1-(5-methyl-1H-imidazol-4-yl)methanamine hydrochloride
CID 56773750
1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
CID 3817838
1-[(4-methyl-1H-imidazol-5-yl)methyl]azocane
CID 6456284
N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine
CID 42776872
2,4,5-Tris(dimethylaminomethyl)imidazole
CID 1497411
(4-methyl-1H-imidazol-5-yl)methanamine
CID 20393969
1,4,5,6-Tetrahydropyrrolo[3,4-d]imidazole
CID 45120616
1-cyano-2-methyl-3-[2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methylamino]ethyl]guanidine
CID 57180390
1-hydroxy-4,4,5,5-tetramethyl-2-(5-methyl-1H-imidazol-4-yl)imidazole
CID 5242122

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]-1H-imidazole?
The IUPAC name of 5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]-1H-imidazole (CID 23396989) is 5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]-1H-imidazole.
What is the SMILES notation for 5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]-1H-imidazole?
The canonical SMILES for 5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]-1H-imidazole is Cc1[nH]cnc1CN1CCC(C)C1.
What is the InChIKey of 5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]-1H-imidazole?
The InChIKey is HPQJFWIVFIRKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-3-4-13(5-8)6-10-9(2)11-7-12-10/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]-1H-imidazole?
5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]-1H-imidazole has a molecular weight of 179.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]-1H-imidazole is sourced from PubChem (CID 23396989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).