3-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C22H22N6 — CID 50966407

IUPAC3-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCCc1ccc(-c2c(-c3ccccc3)ncn2Cc2nnc3n2CCC3)nc1
InChIInChI=1S/C22H22N6/c1-2-16-10-11-18(23-13-16)22-21(17-7-4-3-5-8-17)24-15-27(22)14-20-26-25-19-9-6-12-28(19)20/h3-5,7-8,10-11,13,15H,2,6,9,12,14H2,1H3
InChIKeyPFNNCSKLKXTALT-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.76
Rot. Bonds5

About 3-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 50966407) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID50966407
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name3-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCCc1ccc(-c2c(-c3ccccc3)ncn2Cc2nnc3n2CCC3)nc1
InChIInChI=1S/C22H22N6/c1-2-16-10-11-18(23-13-16)22-21(17-7-4-3-5-8-17)24-15-27(22)14-20-26-25-19-9-6-12-28(19)20/h3-5,7-8,10-11,13,15H,2,6,9,12,14H2,1H3
InChIKeyPFNNCSKLKXTALT-UHFFFAOYSA-N
XLogP3.76
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 50966407) is 3-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is CCc1ccc(-c2c(-c3ccccc3)ncn2Cc2nnc3n2CCC3)nc1.
What is the InChIKey of 3-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is PFNNCSKLKXTALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6/c1-2-16-10-11-18(23-13-16)22-21(17-7-4-3-5-8-17)24-15-27(22)14-20-26-25-19-9-6-12-28(19)20/h3-5,7-8,10-11,13,15H,2,6,9,12,14H2,1H3.
What are the key properties of 3-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 370.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(5-ethyl-2-pyridinyl)-4-phenylimidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 50966407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).