4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline

C24H23ClFN3 — CID 139336466

IUPAC4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
SMILESC[C@@H](c1nc2ccc(Cl)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H23ClFN3/c1-14(24-28-22-8-6-17(25)12-23(22)29-24)15-2-4-16(5-3-15)19-10-11-27-21-9-7-18(26)13-20(19)21/h6-16H,2-5H2,1H3,(H,28,29)/t14-,15?,16?/m1/s1
InChIKeyWGMKPGXMULYDDV-QQFBHYJXSA-N
MW407.92 g/mol
LogP6.98
Rot. Bonds3

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

4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline (PubChem CID 139336466) has the molecular formula C24H23ClFN3 and a molecular weight of 407.92 g/mol. Its IUPAC name is 4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline.

Molecular Properties

Compound Name4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
PubChem CID139336466
Molecular FormulaC24H23ClFN3
Molecular Weight407.92 g/mol
Exact Mass407.16
IUPAC Name4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
SMILESC[C@@H](c1nc2ccc(Cl)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H23ClFN3/c1-14(24-28-22-8-6-17(25)12-23(22)29-24)15-2-4-16(5-3-15)19-10-11-27-21-9-7-18(26)13-20(19)21/h6-16H,2-5H2,1H3,(H,28,29)/t14-,15?,16?/m1/s1
InChIKeyWGMKPGXMULYDDV-QQFBHYJXSA-N
XLogP6.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.92
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
The IUPAC name of 4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline (CID 139336466) is 4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline.
What is the SMILES notation for 4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
The canonical SMILES for 4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline is C[C@@H](c1nc2ccc(Cl)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
The InChIKey is WGMKPGXMULYDDV-QQFBHYJXSA-N. The full InChI is InChI=1S/C24H23ClFN3/c1-14(24-28-22-8-6-17(25)12-23(22)29-24)15-2-4-16(5-3-15)19-10-11-27-21-9-7-18(26)13-20(19)21/h6-16H,2-5H2,1H3,(H,28,29)/t14-,15?,16?/m1/s1.
What are the key properties of 4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline?
4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline has a molecular weight of 407.92 g/mol, XLogP of 6.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline is sourced from PubChem (CID 139336466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).