5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole

C27H25FN4O — CID 138664462

IUPAC5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole
SMILESCC(c1nc2ccc(-c3cnco3)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C27H25FN4O/c1-16(27-31-24-8-6-19(12-25(24)32-27)26-14-29-15-33-26)17-2-4-18(5-3-17)21-10-11-30-23-9-7-20(28)13-22(21)23/h6-18H,2-5H2,1H3,(H,31,32)
InChIKeyHBJMYQRHVNICRZ-UHFFFAOYSA-N
MW440.52 g/mol
LogP6.98
Rot. Bonds4

About 5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole

5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole (PubChem CID 138664462) has the molecular formula C27H25FN4O and a molecular weight of 440.52 g/mol. Its IUPAC name is 5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole
PubChem CID138664462
Molecular FormulaC27H25FN4O
Molecular Weight440.52 g/mol
Exact Mass440.20
IUPAC Name5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole
SMILESCC(c1nc2ccc(-c3cnco3)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C27H25FN4O/c1-16(27-31-24-8-6-19(12-25(24)32-27)26-14-29-15-33-26)17-2-4-18(5-3-17)21-10-11-30-23-9-7-20(28)13-22(21)23/h6-18H,2-5H2,1H3,(H,31,32)
InChIKeyHBJMYQRHVNICRZ-UHFFFAOYSA-N
XLogP6.98
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.52
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole with MolForge

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Related Compounds

4-[4-[(1S)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664417
4-[4-[1-(6-cyclopentyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664674
tert-butyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazole-5-carboxylate
CID 138664306
methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate
CID 155322794
methyl 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate
CID 155318972
2-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-methyl-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 155322797
4-[4-[1-(7-chloro-4,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664308
4-[4-[(1S)-1-(7-chloro-4,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664686
6-fluoro-4-[4-[1-[6-(1-phosphaspiro[2.3]hexan-1-yloxymethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline
CID 138664584
2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole
CID 162465058
4-[4-[1-(4-chloro-6,7-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664525
6-fluoro-4-[4-[1-[3-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]cyclohexyl]quinoline
CID 166731305

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole?
The IUPAC name of 5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole (CID 138664462) is 5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole.
What is the SMILES notation for 5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole?
The canonical SMILES for 5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole is CC(c1nc2ccc(-c3cnco3)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole?
The InChIKey is HBJMYQRHVNICRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O/c1-16(27-31-24-8-6-19(12-25(24)32-27)26-14-29-15-33-26)17-2-4-18(5-3-17)21-10-11-30-23-9-7-20(28)13-22(21)23/h6-18H,2-5H2,1H3,(H,31,32).
What are the key properties of 5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole?
5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole has a molecular weight of 440.52 g/mol, XLogP of 6.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole is sourced from PubChem (CID 138664462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).