2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole

C27H24FN3 — CID 138664532

IUPAC2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole
SMILESFc1ccc2nccc(C3CCC(Cc4nc5cc6ccccc6cc5[nH]4)CC3)c2c1
InChIInChI=1S/C27H24FN3/c28-21-9-10-24-23(16-21)22(11-12-29-24)18-7-5-17(6-8-18)13-27-30-25-14-19-3-1-2-4-20(19)15-26(25)31-27/h1-4,9-12,14-18H,5-8,13H2,(H,30,31)
InChIKeyRCNVESKWPHKWBI-UHFFFAOYSA-N
MW409.51 g/mol
LogP6.92
Rot. Bonds3

About 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole

2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole (PubChem CID 138664532) has the molecular formula C27H24FN3 and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole.

Molecular Properties

Compound Name2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole
PubChem CID138664532
Molecular FormulaC27H24FN3
Molecular Weight409.51 g/mol
Exact Mass409.20
IUPAC Name2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole
SMILESFc1ccc2nccc(C3CCC(Cc4nc5cc6ccccc6cc5[nH]4)CC3)c2c1
InChIInChI=1S/C27H24FN3/c28-21-9-10-24-23(16-21)22(11-12-29-24)18-7-5-17(6-8-18)13-27-30-25-14-19-3-1-2-4-20(19)15-26(25)31-27/h1-4,9-12,14-18H,5-8,13H2,(H,30,31)
InChIKeyRCNVESKWPHKWBI-UHFFFAOYSA-N
XLogP6.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline
CID 138664200
N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
CID 142279689
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
CID 168891038
ethane;N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide;3-methyl-4-phenyl-1H-pyrrole
CID 142279688
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
CID 168891034
2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole
CID 134305867
4-[4-[(1S)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664417
N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine
CID 121318760
6-fluoro-4-[4-(2-isocyanatoethyl)cyclohexyl]quinoline
CID 134284395
1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine
CID 175080471

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole?
The IUPAC name of 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole (CID 138664532) is 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole.
What is the SMILES notation for 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole?
The canonical SMILES for 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole is Fc1ccc2nccc(C3CCC(Cc4nc5cc6ccccc6cc5[nH]4)CC3)c2c1.
What is the InChIKey of 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole?
The InChIKey is RCNVESKWPHKWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3/c28-21-9-10-24-23(16-21)22(11-12-29-24)18-7-5-17(6-8-18)13-27-30-25-14-19-3-1-2-4-20(19)15-26(25)31-27/h1-4,9-12,14-18H,5-8,13H2,(H,30,31).
What are the key properties of 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole?
2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole has a molecular weight of 409.51 g/mol, XLogP of 6.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole is sourced from PubChem (CID 138664532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).