1-ethyl-5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]imidazole

C13H16N6 — CID 70749427

IUPAC1-ethyl-5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]imidazole
SMILESCCn1cncc1Cn1ccnc1-c1nccn1C
InChIInChI=1S/C13H16N6/c1-3-18-10-14-8-11(18)9-19-7-5-16-13(19)12-15-4-6-17(12)2/h4-8,10H,3,9H2,1-2H3
InChIKeyYVSSEVPDNOUAMG-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.55
Rot. Bonds4

About 1-ethyl-5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]imidazole

1-ethyl-5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]imidazole (PubChem CID 70749427) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-ethyl-5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]imidazole.

Molecular Properties

Compound Name1-ethyl-5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]imidazole
PubChem CID70749427
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name1-ethyl-5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]imidazole
SMILESCCn1cncc1Cn1ccnc1-c1nccn1C
InChIInChI=1S/C13H16N6/c1-3-18-10-14-8-11(18)9-19-7-5-16-13(19)12-15-4-6-17(12)2/h4-8,10H,3,9H2,1-2H3
InChIKeyYVSSEVPDNOUAMG-UHFFFAOYSA-N
XLogP1.55
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]imidazole?
The IUPAC name of 1-ethyl-5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]imidazole (CID 70749427) is 1-ethyl-5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]imidazole.
What is the SMILES notation for 1-ethyl-5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]imidazole?
The canonical SMILES for 1-ethyl-5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]imidazole is CCn1cncc1Cn1ccnc1-c1nccn1C.
What is the InChIKey of 1-ethyl-5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]imidazole?
The InChIKey is YVSSEVPDNOUAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-3-18-10-14-8-11(18)9-19-7-5-16-13(19)12-15-4-6-17(12)2/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 1-ethyl-5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]imidazole?
1-ethyl-5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]imidazole has a molecular weight of 256.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]imidazole is sourced from PubChem (CID 70749427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).