2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole

C11H19N3 — CID 105447590

IUPAC2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole
SMILESCCc1nc(CC2CCNC2)c(C)[nH]1
InChIInChI=1S/C11H19N3/c1-3-11-13-8(2)10(14-11)6-9-4-5-12-7-9/h9,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyKYBXMRZGOTXBFJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.43
Rot. Bonds3

About 2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole

2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole (PubChem CID 105447590) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole
PubChem CID105447590
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole
SMILESCCc1nc(CC2CCNC2)c(C)[nH]1
InChIInChI=1S/C11H19N3/c1-3-11-13-8(2)10(14-11)6-9-4-5-12-7-9/h9,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyKYBXMRZGOTXBFJ-UHFFFAOYSA-N
XLogP1.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 105461179
5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole
CID 105492306
3-bromo-5-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole
CID 84694246
2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885178
4,6-dimethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2-thione
CID 105481256
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105440268
4-[(4-ethyl-5-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 93461630
5-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 135135528
6-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 115053246
2,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135159
2-methyl-6-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135525

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The IUPAC name of 2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole (CID 105447590) is 2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole.
What is the SMILES notation for 2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The canonical SMILES for 2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole is CCc1nc(CC2CCNC2)c(C)[nH]1.
What is the InChIKey of 2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The InChIKey is KYBXMRZGOTXBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-11-13-8(2)10(14-11)6-9-4-5-12-7-9/h9,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole?
2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole has a molecular weight of 193.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole is sourced from PubChem (CID 105447590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).