2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclohexyl]acetic acid

C23H24ClFN2O2 — CID 14953075

IUPAC2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C23H24ClFN2O2/c24-17-6-4-16(5-7-17)15-27-20-9-8-18(25)12-19(20)26-21(27)13-23(14-22(28)29)10-2-1-3-11-23/h4-9,12H,1-3,10-11,13-15H2,(H,28,29)
InChIKeyIMVYWMKEQXDBNK-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.84
Rot. Bonds6

About 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclohexyl]acetic acid

2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclohexyl]acetic acid (PubChem CID 14953075) has the molecular formula C23H24ClFN2O2 and a molecular weight of 414.91 g/mol. Its IUPAC name is 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclohexyl]acetic acid
PubChem CID14953075
Molecular FormulaC23H24ClFN2O2
Molecular Weight414.91 g/mol
Exact Mass414.15
IUPAC Name2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C23H24ClFN2O2/c24-17-6-4-16(5-7-17)15-27-20-9-8-18(25)12-19(20)26-21(27)13-23(14-22(28)29)10-2-1-3-11-23/h4-9,12H,1-3,10-11,13-15H2,(H,28,29)
InChIKeyIMVYWMKEQXDBNK-UHFFFAOYSA-N
XLogP5.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.91
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclohexyl]acetic acid (CID 14953075) is 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclohexyl]acetic acid is O=C(O)CC1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclohexyl]acetic acid?
The InChIKey is IMVYWMKEQXDBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN2O2/c24-17-6-4-16(5-7-17)15-27-20-9-8-18(25)12-19(20)26-21(27)13-23(14-22(28)29)10-2-1-3-11-23/h4-9,12H,1-3,10-11,13-15H2,(H,28,29).
What are the key properties of 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclohexyl]acetic acid?
2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclohexyl]acetic acid has a molecular weight of 414.91 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 14953075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).