1-[2-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyltriazole

C20H23N7 — CID 50972465

IUPAC1-[2-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyltriazole
SMILESCCc1nc(-c2c(-c3ccccc3)ncn2CCn2cc(C)nn2)c(C)[nH]1
InChIInChI=1S/C20H23N7/c1-4-17-22-15(3)18(23-17)20-19(16-8-6-5-7-9-16)21-13-26(20)10-11-27-12-14(2)24-25-27/h5-9,12-13H,4,10-11H2,1-3H3,(H,22,23)
InChIKeyOZCRSJLSRGNGNH-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.41
Rot. Bonds6

About 1-[2-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyltriazole

1-[2-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyltriazole (PubChem CID 50972465) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[2-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyltriazole.

Molecular Properties

Compound Name1-[2-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyltriazole
PubChem CID50972465
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name1-[2-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyltriazole
SMILESCCc1nc(-c2c(-c3ccccc3)ncn2CCn2cc(C)nn2)c(C)[nH]1
InChIInChI=1S/C20H23N7/c1-4-17-22-15(3)18(23-17)20-19(16-8-6-5-7-9-16)21-13-26(20)10-11-27-12-14(2)24-25-27/h5-9,12-13H,4,10-11H2,1-3H3,(H,22,23)
InChIKeyOZCRSJLSRGNGNH-UHFFFAOYSA-N
XLogP3.41
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyltriazole?
The IUPAC name of 1-[2-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyltriazole (CID 50972465) is 1-[2-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyltriazole.
What is the SMILES notation for 1-[2-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyltriazole?
The canonical SMILES for 1-[2-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyltriazole is CCc1nc(-c2c(-c3ccccc3)ncn2CCn2cc(C)nn2)c(C)[nH]1.
What is the InChIKey of 1-[2-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyltriazole?
The InChIKey is OZCRSJLSRGNGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-4-17-22-15(3)18(23-17)20-19(16-8-6-5-7-9-16)21-13-26(20)10-11-27-12-14(2)24-25-27/h5-9,12-13H,4,10-11H2,1-3H3,(H,22,23).
What are the key properties of 1-[2-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyltriazole?
1-[2-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyltriazole has a molecular weight of 361.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyltriazole is sourced from PubChem (CID 50972465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).