1-benzyl-4-(2-ethyl-5-fluoro-1,3-dihydroinden-2-yl)imidazole

C21H21FN2 — CID 11961664

IUPAC1-benzyl-4-(2-ethyl-5-fluoro-1,3-dihydroinden-2-yl)imidazole
SMILESCCC1(c2cn(Cc3ccccc3)cn2)Cc2ccc(F)cc2C1
InChIInChI=1S/C21H21FN2/c1-2-21(11-17-8-9-19(22)10-18(17)12-21)20-14-24(15-23-20)13-16-6-4-3-5-7-16/h3-10,14-15H,2,11-13H2,1H3
InChIKeyAMJNXXJNBJPGKS-UHFFFAOYSA-N
MW320.41 g/mol
LogP4.52
Rot. Bonds4

About 1-benzyl-4-(2-ethyl-5-fluoro-1,3-dihydroinden-2-yl)imidazole

1-benzyl-4-(2-ethyl-5-fluoro-1,3-dihydroinden-2-yl)imidazole (PubChem CID 11961664) has the molecular formula C21H21FN2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-benzyl-4-(2-ethyl-5-fluoro-1,3-dihydroinden-2-yl)imidazole.

Molecular Properties

Compound Name1-benzyl-4-(2-ethyl-5-fluoro-1,3-dihydroinden-2-yl)imidazole
PubChem CID11961664
Molecular FormulaC21H21FN2
Molecular Weight320.41 g/mol
Exact Mass320.17
IUPAC Name1-benzyl-4-(2-ethyl-5-fluoro-1,3-dihydroinden-2-yl)imidazole
SMILESCCC1(c2cn(Cc3ccccc3)cn2)Cc2ccc(F)cc2C1
InChIInChI=1S/C21H21FN2/c1-2-21(11-17-8-9-19(22)10-18(17)12-21)20-14-24(15-23-20)13-16-6-4-3-5-7-16/h3-10,14-15H,2,11-13H2,1H3
InChIKeyAMJNXXJNBJPGKS-UHFFFAOYSA-N
XLogP4.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-ethyl-5-fluoro-1,3-dihydroinden-2-yl)imidazole?
The IUPAC name of 1-benzyl-4-(2-ethyl-5-fluoro-1,3-dihydroinden-2-yl)imidazole (CID 11961664) is 1-benzyl-4-(2-ethyl-5-fluoro-1,3-dihydroinden-2-yl)imidazole.
What is the SMILES notation for 1-benzyl-4-(2-ethyl-5-fluoro-1,3-dihydroinden-2-yl)imidazole?
The canonical SMILES for 1-benzyl-4-(2-ethyl-5-fluoro-1,3-dihydroinden-2-yl)imidazole is CCC1(c2cn(Cc3ccccc3)cn2)Cc2ccc(F)cc2C1.
What is the InChIKey of 1-benzyl-4-(2-ethyl-5-fluoro-1,3-dihydroinden-2-yl)imidazole?
The InChIKey is AMJNXXJNBJPGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2/c1-2-21(11-17-8-9-19(22)10-18(17)12-21)20-14-24(15-23-20)13-16-6-4-3-5-7-16/h3-10,14-15H,2,11-13H2,1H3.
What are the key properties of 1-benzyl-4-(2-ethyl-5-fluoro-1,3-dihydroinden-2-yl)imidazole?
1-benzyl-4-(2-ethyl-5-fluoro-1,3-dihydroinden-2-yl)imidazole has a molecular weight of 320.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-ethyl-5-fluoro-1,3-dihydroinden-2-yl)imidazole is sourced from PubChem (CID 11961664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).