5-(2-cyclohexyl-2-fluoroethyl)-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole

C21H25FN2 — CID 130300415

IUPAC5-(2-cyclohexyl-2-fluoroethyl)-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole
SMILESCC1=C(c2ccccc2)C(CC(F)C2CCCCC2)n2cncc21
InChIInChI=1S/C21H25FN2/c1-15-20-13-23-14-24(20)19(21(15)17-10-6-3-7-11-17)12-18(22)16-8-4-2-5-9-16/h3,6-7,10-11,13-14,16,18-19H,2,4-5,8-9,12H2,1H3
InChIKeyLAKDDKKUVOLXJF-UHFFFAOYSA-N
MW324.44 g/mol
LogP5.68
Rot. Bonds4

About 5-(2-cyclohexyl-2-fluoroethyl)-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole

5-(2-cyclohexyl-2-fluoroethyl)-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole (PubChem CID 130300415) has the molecular formula C21H25FN2 and a molecular weight of 324.44 g/mol. Its IUPAC name is 5-(2-cyclohexyl-2-fluoroethyl)-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Name5-(2-cyclohexyl-2-fluoroethyl)-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole
PubChem CID130300415
Molecular FormulaC21H25FN2
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC Name5-(2-cyclohexyl-2-fluoroethyl)-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole
SMILESCC1=C(c2ccccc2)C(CC(F)C2CCCCC2)n2cncc21
InChIInChI=1S/C21H25FN2/c1-15-20-13-23-14-24(20)19(21(15)17-10-6-3-7-11-17)12-18(22)16-8-4-2-5-9-16/h3,6-7,10-11,13-14,16,18-19H,2,4-5,8-9,12H2,1H3
InChIKeyLAKDDKKUVOLXJF-UHFFFAOYSA-N
XLogP5.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.44
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexyl-2-fluoroethyl)-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole?
The IUPAC name of 5-(2-cyclohexyl-2-fluoroethyl)-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole (CID 130300415) is 5-(2-cyclohexyl-2-fluoroethyl)-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole.
What is the SMILES notation for 5-(2-cyclohexyl-2-fluoroethyl)-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole?
The canonical SMILES for 5-(2-cyclohexyl-2-fluoroethyl)-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole is CC1=C(c2ccccc2)C(CC(F)C2CCCCC2)n2cncc21.
What is the InChIKey of 5-(2-cyclohexyl-2-fluoroethyl)-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole?
The InChIKey is LAKDDKKUVOLXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2/c1-15-20-13-23-14-24(20)19(21(15)17-10-6-3-7-11-17)12-18(22)16-8-4-2-5-9-16/h3,6-7,10-11,13-14,16,18-19H,2,4-5,8-9,12H2,1H3.
What are the key properties of 5-(2-cyclohexyl-2-fluoroethyl)-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole?
5-(2-cyclohexyl-2-fluoroethyl)-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole has a molecular weight of 324.44 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexyl-2-fluoroethyl)-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole is sourced from PubChem (CID 130300415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).