1-[[2-(imidazol-1-ylmethyl)-2,3-dihydro-1H-pyrrol-5-yl]methyl]imidazole

C12H15N5 — CID 71056214

IUPAC1-[[2-(imidazol-1-ylmethyl)-2,3-dihydro-1H-pyrrol-5-yl]methyl]imidazole
SMILESC1=C(Cn2ccnc2)NC(Cn2ccnc2)C1
InChIInChI=1S/C12H15N5/c1-2-12(8-17-6-4-14-10-17)15-11(1)7-16-5-3-13-9-16/h1,3-6,9-10,12,15H,2,7-8H2
InChIKeyXFVFIOXGGTZRAR-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.03
Rot. Bonds4

About 1-[[2-(imidazol-1-ylmethyl)-2,3-dihydro-1H-pyrrol-5-yl]methyl]imidazole

1-[[2-(imidazol-1-ylmethyl)-2,3-dihydro-1H-pyrrol-5-yl]methyl]imidazole (PubChem CID 71056214) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 1-[[2-(imidazol-1-ylmethyl)-2,3-dihydro-1H-pyrrol-5-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[2-(imidazol-1-ylmethyl)-2,3-dihydro-1H-pyrrol-5-yl]methyl]imidazole
PubChem CID71056214
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name1-[[2-(imidazol-1-ylmethyl)-2,3-dihydro-1H-pyrrol-5-yl]methyl]imidazole
SMILESC1=C(Cn2ccnc2)NC(Cn2ccnc2)C1
InChIInChI=1S/C12H15N5/c1-2-12(8-17-6-4-14-10-17)15-11(1)7-16-5-3-13-9-16/h1,3-6,9-10,12,15H,2,7-8H2
InChIKeyXFVFIOXGGTZRAR-UHFFFAOYSA-N
XLogP1.03
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(imidazol-1-ylmethyl)-2,3-dihydro-1H-pyrrol-5-yl]methyl]imidazole?
The IUPAC name of 1-[[2-(imidazol-1-ylmethyl)-2,3-dihydro-1H-pyrrol-5-yl]methyl]imidazole (CID 71056214) is 1-[[2-(imidazol-1-ylmethyl)-2,3-dihydro-1H-pyrrol-5-yl]methyl]imidazole.
What is the SMILES notation for 1-[[2-(imidazol-1-ylmethyl)-2,3-dihydro-1H-pyrrol-5-yl]methyl]imidazole?
The canonical SMILES for 1-[[2-(imidazol-1-ylmethyl)-2,3-dihydro-1H-pyrrol-5-yl]methyl]imidazole is C1=C(Cn2ccnc2)NC(Cn2ccnc2)C1.
What is the InChIKey of 1-[[2-(imidazol-1-ylmethyl)-2,3-dihydro-1H-pyrrol-5-yl]methyl]imidazole?
The InChIKey is XFVFIOXGGTZRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-12(8-17-6-4-14-10-17)15-11(1)7-16-5-3-13-9-16/h1,3-6,9-10,12,15H,2,7-8H2.
What are the key properties of 1-[[2-(imidazol-1-ylmethyl)-2,3-dihydro-1H-pyrrol-5-yl]methyl]imidazole?
1-[[2-(imidazol-1-ylmethyl)-2,3-dihydro-1H-pyrrol-5-yl]methyl]imidazole has a molecular weight of 229.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(imidazol-1-ylmethyl)-2,3-dihydro-1H-pyrrol-5-yl]methyl]imidazole is sourced from PubChem (CID 71056214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).