N-(4-cyclopentylbut-1-en-2-yl)-5-fluoro-6-(4-methoxyphenyl)-2-methylidene-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-amine

C27H28F4N4O — CID 130244722

About N-(4-cyclopentylbut-1-en-2-yl)-5-fluoro-6-(4-methoxyphenyl)-2-methylidene-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-amine

N-(4-cyclopentylbut-1-en-2-yl)-5-fluoro-6-(4-methoxyphenyl)-2-methylidene-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-amine (PubChem CID 130244722) has the molecular formula C27H28F4N4O and a molecular weight of 500.54 g/mol. Its IUPAC name is N-(4-cyclopentylbut-1-en-2-yl)-5-fluoro-6-(4-methoxyphenyl)-2-methylidene-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-amine.

Molecular Properties

• Compound Name: N-(4-cyclopentylbut-1-en-2-yl)-5-fluoro-6-(4-methoxyphenyl)-2-methylidene-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-amine
• PubChem CID: 130244722
• Molecular Formula: C27H28F4N4O
• Molecular Weight: 500.54 g/mol
• Exact Mass: 500.22
• IUPAC Name: N-(4-cyclopentylbut-1-en-2-yl)-5-fluoro-6-(4-methoxyphenyl)-2-methylidene-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-amine
• SMILES: C=C(CCC1CCCC1)NC1(C(F)(F)F)C(=C)Nc2nc3c(F)c(-c4ccc(OC)cc4)ccc3n21
• InChI: InChI=1S/C27H28F4N4O/c1-16(8-9-18-6-4-5-7-18)34-26(27(29,30)31)17(2)32-25-33-24-22(35(25)26)15-14-21(23(24)28)19-10-12-20(36-3)13-11-19/h10-15,18,34H,1-2,4-9H2,3H3,(H,32,33)
• InChIKey: XEXLXMBXJWXEJW-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 51.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.54
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylbut-1-en-2-yl)-5-fluoro-6-(4-methoxyphenyl)-2-methylidene-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-amine?

The IUPAC name of N-(4-cyclopentylbut-1-en-2-yl)-5-fluoro-6-(4-methoxyphenyl)-2-methylidene-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-amine (CID 130244722) is N-(4-cyclopentylbut-1-en-2-yl)-5-fluoro-6-(4-methoxyphenyl)-2-methylidene-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-amine.

What is the SMILES notation for N-(4-cyclopentylbut-1-en-2-yl)-5-fluoro-6-(4-methoxyphenyl)-2-methylidene-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-amine?

The canonical SMILES for N-(4-cyclopentylbut-1-en-2-yl)-5-fluoro-6-(4-methoxyphenyl)-2-methylidene-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-amine is C=C(CCC1CCCC1)NC1(C(F)(F)F)C(=C)Nc2nc3c(F)c(-c4ccc(OC)cc4)ccc3n21.

What is the InChIKey of N-(4-cyclopentylbut-1-en-2-yl)-5-fluoro-6-(4-methoxyphenyl)-2-methylidene-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-amine?

The InChIKey is XEXLXMBXJWXEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F4N4O/c1-16(8-9-18-6-4-5-7-18)34-26(27(29,30)31)17(2)32-25-33-24-22(35(25)26)15-14-21(23(24)28)19-10-12-20(36-3)13-11-19/h10-15,18,34H,1-2,4-9H2,3H3,(H,32,33).

What are the key properties of N-(4-cyclopentylbut-1-en-2-yl)-5-fluoro-6-(4-methoxyphenyl)-2-methylidene-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-amine?

N-(4-cyclopentylbut-1-en-2-yl)-5-fluoro-6-(4-methoxyphenyl)-2-methylidene-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-amine has a molecular weight of 500.54 g/mol, XLogP of 7.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-cyclopentylbut-1-en-2-yl)-5-fluoro-6-(4-methoxyphenyl)-2-methylidene-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-amine is sourced from PubChem (CID 130244722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).