6-fluoro-4-[4-[(1R)-1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline

C24H23F2N3 — CID 138664221

IUPAC6-fluoro-4-[4-[(1R)-1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline
SMILESC[C@@H](c1nc2ccc(F)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H23F2N3/c1-14(24-28-22-9-7-18(26)13-23(22)29-24)15-2-4-16(5-3-15)19-10-11-27-21-8-6-17(25)12-20(19)21/h6-16H,2-5H2,1H3,(H,28,29)/t14-,15?,16?/m1/s1
InChIKeyYDOCAFJSCXVJCI-QQFBHYJXSA-N
MW391.47 g/mol
LogP6.47
Rot. Bonds3

About 6-fluoro-4-[4-[(1R)-1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline

6-fluoro-4-[4-[(1R)-1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline (PubChem CID 138664221) has the molecular formula C24H23F2N3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 6-fluoro-4-[4-[(1R)-1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline.

Molecular Properties

Compound Name6-fluoro-4-[4-[(1R)-1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline
PubChem CID138664221
Molecular FormulaC24H23F2N3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name6-fluoro-4-[4-[(1R)-1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline
SMILESC[C@@H](c1nc2ccc(F)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H23F2N3/c1-14(24-28-22-9-7-18(26)13-23(22)29-24)15-2-4-16(5-3-15)19-10-11-27-21-8-6-17(25)12-20(19)21/h6-16H,2-5H2,1H3,(H,28,29)/t14-,15?,16?/m1/s1
InChIKeyYDOCAFJSCXVJCI-QQFBHYJXSA-N
XLogP6.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[4-[(1R)-1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline?
The IUPAC name of 6-fluoro-4-[4-[(1R)-1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline (CID 138664221) is 6-fluoro-4-[4-[(1R)-1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline.
What is the SMILES notation for 6-fluoro-4-[4-[(1R)-1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline?
The canonical SMILES for 6-fluoro-4-[4-[(1R)-1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline is C[C@@H](c1nc2ccc(F)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 6-fluoro-4-[4-[(1R)-1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline?
The InChIKey is YDOCAFJSCXVJCI-QQFBHYJXSA-N. The full InChI is InChI=1S/C24H23F2N3/c1-14(24-28-22-9-7-18(26)13-23(22)29-24)15-2-4-16(5-3-15)19-10-11-27-21-8-6-17(25)12-20(19)21/h6-16H,2-5H2,1H3,(H,28,29)/t14-,15?,16?/m1/s1.
What are the key properties of 6-fluoro-4-[4-[(1R)-1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline?
6-fluoro-4-[4-[(1R)-1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline has a molecular weight of 391.47 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[4-[(1R)-1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline is sourced from PubChem (CID 138664221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).