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

C12H17N5 — CID 114720604

IUPAC1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole
SMILESCn1ccnc1Cn1cncc1C1CCNC1
InChIInChI=1S/C12H17N5/c1-16-5-4-15-12(16)8-17-9-14-7-11(17)10-2-3-13-6-10/h4-5,7,9-10,13H,2-3,6,8H2,1H3
InChIKeySLGCBOZMXXYXKI-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.74
Rot. Bonds3

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

1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole (PubChem CID 114720604) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole
PubChem CID114720604
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole
SMILESCn1ccnc1Cn1cncc1C1CCNC1
InChIInChI=1S/C12H17N5/c1-16-5-4-15-12(16)8-17-9-14-7-11(17)10-2-3-13-6-10/h4-5,7,9-10,13H,2-3,6,8H2,1H3
InChIKeySLGCBOZMXXYXKI-UHFFFAOYSA-N
XLogP0.74
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole
CID 114719151
1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
5-ethyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 114180990
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole
CID 106194342
1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114718583
3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine
CID 114706130
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole
CID 114722620
N,N-dimethyl-3-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114718789
5-ethyl-2-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377495
1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole
CID 114720616

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole?
The IUPAC name of 1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole (CID 114720604) is 1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole.
What is the SMILES notation for 1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole?
The canonical SMILES for 1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole is Cn1ccnc1Cn1cncc1C1CCNC1.
What is the InChIKey of 1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole?
The InChIKey is SLGCBOZMXXYXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16-5-4-15-12(16)8-17-9-14-7-11(17)10-2-3-13-6-10/h4-5,7,9-10,13H,2-3,6,8H2,1H3.
What are the key properties of 1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole?
1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole has a molecular weight of 231.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole is sourced from PubChem (CID 114720604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).