5-(1-methylimidazol-2-yl)-2,4-diphenyl-1H-imidazole

C19H16N4 — CID 171986846

IUPAC5-(1-methylimidazol-2-yl)-2,4-diphenyl-1H-imidazole
SMILESCn1ccnc1-c1[nH]c(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H16N4/c1-23-13-12-20-19(23)17-16(14-8-4-2-5-9-14)21-18(22-17)15-10-6-3-7-11-15/h2-13H,1H3,(H,21,22)
InChIKeyPVYHNYQDEGCPBC-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.14
Rot. Bonds3

About 5-(1-methylimidazol-2-yl)-2,4-diphenyl-1H-imidazole

5-(1-methylimidazol-2-yl)-2,4-diphenyl-1H-imidazole (PubChem CID 171986846) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-(1-methylimidazol-2-yl)-2,4-diphenyl-1H-imidazole.

Molecular Properties

Compound Name5-(1-methylimidazol-2-yl)-2,4-diphenyl-1H-imidazole
PubChem CID171986846
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name5-(1-methylimidazol-2-yl)-2,4-diphenyl-1H-imidazole
SMILESCn1ccnc1-c1[nH]c(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H16N4/c1-23-13-12-20-19(23)17-16(14-8-4-2-5-9-14)21-18(22-17)15-10-6-3-7-11-15/h2-13H,1H3,(H,21,22)
InChIKeyPVYHNYQDEGCPBC-UHFFFAOYSA-N
XLogP4.14
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazol-2-yl)-2,4-diphenyl-1H-imidazole?
The IUPAC name of 5-(1-methylimidazol-2-yl)-2,4-diphenyl-1H-imidazole (CID 171986846) is 5-(1-methylimidazol-2-yl)-2,4-diphenyl-1H-imidazole.
What is the SMILES notation for 5-(1-methylimidazol-2-yl)-2,4-diphenyl-1H-imidazole?
The canonical SMILES for 5-(1-methylimidazol-2-yl)-2,4-diphenyl-1H-imidazole is Cn1ccnc1-c1[nH]c(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 5-(1-methylimidazol-2-yl)-2,4-diphenyl-1H-imidazole?
The InChIKey is PVYHNYQDEGCPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-23-13-12-20-19(23)17-16(14-8-4-2-5-9-14)21-18(22-17)15-10-6-3-7-11-15/h2-13H,1H3,(H,21,22).
What are the key properties of 5-(1-methylimidazol-2-yl)-2,4-diphenyl-1H-imidazole?
5-(1-methylimidazol-2-yl)-2,4-diphenyl-1H-imidazole has a molecular weight of 300.37 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazol-2-yl)-2,4-diphenyl-1H-imidazole is sourced from PubChem (CID 171986846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).