6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline

C26H28FN3 — CID 138664200

IUPAC6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline
SMILESCC(C)c1ccc2nc(CC3CCC(c4ccnc5ccc(F)cc45)CC3)[nH]c2c1
InChIInChI=1S/C26H28FN3/c1-16(2)19-7-9-24-25(14-19)30-26(29-24)13-17-3-5-18(6-4-17)21-11-12-28-23-10-8-20(27)15-22(21)23/h7-12,14-18H,3-6,13H2,1-2H3,(H,29,30)
InChIKeyFHFBFPIVUGJDCY-UHFFFAOYSA-N
MW401.53 g/mol
LogP6.89
Rot. Bonds4

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

6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline (PubChem CID 138664200) has the molecular formula C26H28FN3 and a molecular weight of 401.53 g/mol. Its IUPAC name is 6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline.

Molecular Properties

Compound Name6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline
PubChem CID138664200
Molecular FormulaC26H28FN3
Molecular Weight401.53 g/mol
Exact Mass401.23
IUPAC Name6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline
SMILESCC(C)c1ccc2nc(CC3CCC(c4ccnc5ccc(F)cc45)CC3)[nH]c2c1
InChIInChI=1S/C26H28FN3/c1-16(2)19-7-9-24-25(14-19)30-26(29-24)13-17-3-5-18(6-4-17)21-11-12-28-23-10-8-20(27)15-22(21)23/h7-12,14-18H,3-6,13H2,1-2H3,(H,29,30)
InChIKeyFHFBFPIVUGJDCY-UHFFFAOYSA-N
XLogP6.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.53
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline with MolForge

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Related Compounds

2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-1H-benzo[f]benzimidazole
CID 138664532
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
CID 168891038
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
CID 168891034
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
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-5-methyl-1,3-oxazole
CID 134305867
6-fluoro-N-[(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-yl]-1,3-benzoxazol-2-amine
CID 168891031
N-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]formamide
CID 142279689
6-fluoro-4-[4-[1-[6-(1-phosphaspiro[2.3]hexan-1-yloxymethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline
CID 138664584
1-tert-butyl-2-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]hydrazine
CID 175080471

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline?
The IUPAC name of 6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline (CID 138664200) is 6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline.
What is the SMILES notation for 6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline?
The canonical SMILES for 6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline is CC(C)c1ccc2nc(CC3CCC(c4ccnc5ccc(F)cc45)CC3)[nH]c2c1.
What is the InChIKey of 6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline?
The InChIKey is FHFBFPIVUGJDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3/c1-16(2)19-7-9-24-25(14-19)30-26(29-24)13-17-3-5-18(6-4-17)21-11-12-28-23-10-8-20(27)15-22(21)23/h7-12,14-18H,3-6,13H2,1-2H3,(H,29,30).
What are the key properties of 6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline?
6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline has a molecular weight of 401.53 g/mol, XLogP of 6.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[4-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline is sourced from PubChem (CID 138664200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).