1-(2-pyrrolidin-1-ylethyl)imidazole

C9H15N3 — CID 19964498

IUPAC1-(2-pyrrolidin-1-ylethyl)imidazole
SMILESc1cn(CCN2CCCC2)cn1
InChIInChI=1S/C9H15N3/c1-2-5-11(4-1)7-8-12-6-3-10-9-12/h3,6,9H,1-2,4-5,7-8H2
InChIKeyVCGQONMOLINMJP-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.98
Rot. Bonds3

About 1-(2-pyrrolidin-1-ylethyl)imidazole

1-(2-pyrrolidin-1-ylethyl)imidazole (PubChem CID 19964498) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylethyl)imidazole.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylethyl)imidazole
PubChem CID19964498
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(2-pyrrolidin-1-ylethyl)imidazole
SMILESc1cn(CCN2CCCC2)cn1
InChIInChI=1S/C9H15N3/c1-2-5-11(4-1)7-8-12-6-3-10-9-12/h3,6,9H,1-2,4-5,7-8H2
InChIKeyVCGQONMOLINMJP-UHFFFAOYSA-N
XLogP0.98
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-imidazol-1-ylpropyl)-1,4-diazepan-1-yl]ethanamine
CID 55149857
1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
CID 55169547
(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
CID 94340676
1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine
CID 63848734
1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine
CID 126892681
1-[(4-bromophenyl)methyl]-4-(2-imidazol-1-ylethyl)piperazine
CID 90533467
1-(3-imidazol-1-ylpropyl)-4-propylpiperazine
CID 174856512
4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid
CID 63126519
2-imidazol-1-yl-N-(2-piperidin-1-ylethyl)acetamide
CID 139978601
[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine
CID 61462956
ethyl 2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]acetate
CID 90533491
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 71788571

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylethyl)imidazole?
The IUPAC name of 1-(2-pyrrolidin-1-ylethyl)imidazole (CID 19964498) is 1-(2-pyrrolidin-1-ylethyl)imidazole.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylethyl)imidazole?
The canonical SMILES for 1-(2-pyrrolidin-1-ylethyl)imidazole is c1cn(CCN2CCCC2)cn1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylethyl)imidazole?
The InChIKey is VCGQONMOLINMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-5-11(4-1)7-8-12-6-3-10-9-12/h3,6,9H,1-2,4-5,7-8H2.
What are the key properties of 1-(2-pyrrolidin-1-ylethyl)imidazole?
1-(2-pyrrolidin-1-ylethyl)imidazole has a molecular weight of 165.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylethyl)imidazole is sourced from PubChem (CID 19964498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).