1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole

C13H19N5 — CID 114719151

IUPAC1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole
SMILESCn1ccnc1CCn1cncc1C1CCNC1
InChIInChI=1S/C13H19N5/c1-17-7-5-16-13(17)3-6-18-10-15-9-12(18)11-2-4-14-8-11/h5,7,9-11,14H,2-4,6,8H2,1H3
InChIKeyQUJHBFYRXCUJTD-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.94
Rot. Bonds4

About 1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole

1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole (PubChem CID 114719151) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole
PubChem CID114719151
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole
SMILESCn1ccnc1CCn1cncc1C1CCNC1
InChIInChI=1S/C13H19N5/c1-17-7-5-16-13(17)3-6-18-10-15-9-12(18)11-2-4-14-8-11/h5,7,9-11,14H,2-4,6,8H2,1H3
InChIKeyQUJHBFYRXCUJTD-UHFFFAOYSA-N
XLogP0.94
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole
CID 114720604
1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114718583
N,N-dimethyl-3-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114718789
1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole
CID 106261724
1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole
CID 114722620
1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole
CID 106194342
4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine
CID 106106979
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
N,N-dimethyl-2-(5-piperidin-3-ylimidazol-1-yl)ethanamine
CID 114703731

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole?
The IUPAC name of 1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole (CID 114719151) is 1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole.
What is the SMILES notation for 1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole?
The canonical SMILES for 1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole is Cn1ccnc1CCn1cncc1C1CCNC1.
What is the InChIKey of 1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole?
The InChIKey is QUJHBFYRXCUJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-17-7-5-16-13(17)3-6-18-10-15-9-12(18)11-2-4-14-8-11/h5,7,9-11,14H,2-4,6,8H2,1H3.
What are the key properties of 1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole?
1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole has a molecular weight of 245.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole is sourced from PubChem (CID 114719151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).