2-methyl-5-[5-(2-methyl-1H-imidazol-5-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole

C24H18N4S — CID 163673056

IUPAC2-methyl-5-[5-(2-methyl-1H-imidazol-5-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole
SMILESCc1ncc(-c2ccc3c(c2)c2ccsc2c2cc(-c4cnc(C)[nH]4)ccc32)[nH]1
InChIInChI=1S/C24H18N4S/c1-13-25-11-22(27-13)15-3-5-17-18-6-4-16(23-12-26-14(2)28-23)10-21(18)24-19(7-8-29-24)20(17)9-15/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyJEGDCNZEUJSVJO-UHFFFAOYSA-N
MW394.50 g/mol
LogP6.60
Rot. Bonds2

About 2-methyl-5-[5-(2-methyl-1H-imidazol-5-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole

2-methyl-5-[5-(2-methyl-1H-imidazol-5-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole (PubChem CID 163673056) has the molecular formula C24H18N4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-methyl-5-[5-(2-methyl-1H-imidazol-5-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-[5-(2-methyl-1H-imidazol-5-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole
PubChem CID163673056
Molecular FormulaC24H18N4S
Molecular Weight394.50 g/mol
Exact Mass394.13
IUPAC Name2-methyl-5-[5-(2-methyl-1H-imidazol-5-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole
SMILESCc1ncc(-c2ccc3c(c2)c2ccsc2c2cc(-c4cnc(C)[nH]4)ccc32)[nH]1
InChIInChI=1S/C24H18N4S/c1-13-25-11-22(27-13)15-3-5-17-18-6-4-16(23-12-26-14(2)28-23)10-21(18)24-19(7-8-29-24)20(17)9-15/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyJEGDCNZEUJSVJO-UHFFFAOYSA-N
XLogP6.60
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-(2-methyl-1H-imidazol-5-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole?
The IUPAC name of 2-methyl-5-[5-(2-methyl-1H-imidazol-5-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole (CID 163673056) is 2-methyl-5-[5-(2-methyl-1H-imidazol-5-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole.
What is the SMILES notation for 2-methyl-5-[5-(2-methyl-1H-imidazol-5-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole?
The canonical SMILES for 2-methyl-5-[5-(2-methyl-1H-imidazol-5-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole is Cc1ncc(-c2ccc3c(c2)c2ccsc2c2cc(-c4cnc(C)[nH]4)ccc32)[nH]1.
What is the InChIKey of 2-methyl-5-[5-(2-methyl-1H-imidazol-5-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole?
The InChIKey is JEGDCNZEUJSVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4S/c1-13-25-11-22(27-13)15-3-5-17-18-6-4-16(23-12-26-14(2)28-23)10-21(18)24-19(7-8-29-24)20(17)9-15/h3-12H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-methyl-5-[5-(2-methyl-1H-imidazol-5-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole?
2-methyl-5-[5-(2-methyl-1H-imidazol-5-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole has a molecular weight of 394.50 g/mol, XLogP of 6.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-(2-methyl-1H-imidazol-5-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole is sourced from PubChem (CID 163673056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).