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

C23H21ClFN3 — CID 138664002

IUPAC4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline
SMILESFc1ccc2nccc(C3CCC(Cc4nc5ccc(Cl)cc5[nH]4)CC3)c2c1
InChIInChI=1S/C23H21ClFN3/c24-16-5-7-21-22(12-16)28-23(27-21)11-14-1-3-15(4-2-14)18-9-10-26-20-8-6-17(25)13-19(18)20/h5-10,12-15H,1-4,11H2,(H,27,28)
InChIKeyUCMYWRSRCMGKNK-UHFFFAOYSA-N
MW393.89 g/mol
LogP6.42
Rot. Bonds3

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

4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline (PubChem CID 138664002) has the molecular formula C23H21ClFN3 and a molecular weight of 393.89 g/mol. Its IUPAC name is 4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline.

Molecular Properties

Compound Name4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline
PubChem CID138664002
Molecular FormulaC23H21ClFN3
Molecular Weight393.89 g/mol
Exact Mass393.14
IUPAC Name4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline
SMILESFc1ccc2nccc(C3CCC(Cc4nc5ccc(Cl)cc5[nH]4)CC3)c2c1
InChIInChI=1S/C23H21ClFN3/c24-16-5-7-21-22(12-16)28-23(27-21)11-14-1-3-15(4-2-14)18-9-10-26-20-8-6-17(25)13-19(18)20/h5-10,12-15H,1-4,11H2,(H,27,28)
InChIKeyUCMYWRSRCMGKNK-UHFFFAOYSA-N
XLogP6.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.89
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline?
The IUPAC name of 4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline (CID 138664002) is 4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline.
What is the SMILES notation for 4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline?
The canonical SMILES for 4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline is Fc1ccc2nccc(C3CCC(Cc4nc5ccc(Cl)cc5[nH]4)CC3)c2c1.
What is the InChIKey of 4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline?
The InChIKey is UCMYWRSRCMGKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3/c24-16-5-7-21-22(12-16)28-23(27-21)11-14-1-3-15(4-2-14)18-9-10-26-20-8-6-17(25)13-19(18)20/h5-10,12-15H,1-4,11H2,(H,27,28).
What are the key properties of 4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline?
4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline has a molecular weight of 393.89 g/mol, XLogP of 6.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]-6-fluoroquinoline is sourced from PubChem (CID 138664002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).