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

C22H22ClFN2O2 — CID 15680093

IUPAC2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C22H22ClFN2O2/c23-16-5-3-15(4-6-16)14-26-19-8-7-17(24)11-18(19)25-20(26)12-22(13-21(27)28)9-1-2-10-22/h3-8,11H,1-2,9-10,12-14H2,(H,27,28)
InChIKeyJHIOTIRMOCOMNO-UHFFFAOYSA-N
MW400.88 g/mol
LogP5.45
Rot. Bonds6

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

2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopentyl]acetic acid (PubChem CID 15680093) has the molecular formula C22H22ClFN2O2 and a molecular weight of 400.88 g/mol. Its IUPAC name is 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopentyl]acetic acid
PubChem CID15680093
Molecular FormulaC22H22ClFN2O2
Molecular Weight400.88 g/mol
Exact Mass400.14
IUPAC Name2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C22H22ClFN2O2/c23-16-5-3-15(4-6-16)14-26-19-8-7-17(24)11-18(19)25-20(26)12-22(13-21(27)28)9-1-2-10-22/h3-8,11H,1-2,9-10,12-14H2,(H,27,28)
InChIKeyJHIOTIRMOCOMNO-UHFFFAOYSA-N
XLogP5.45
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.88
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-((4-Chlorophenyl)methyl)-6-chloroimidazo(4,5-b)pyridin-2-yl)-3,3-dimethylbutanoic acid
CID 3086644
3-(2-Chlorophenyl)-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]propanoic acid
CID 10527435
5-[1-(4-Chlorobenzyl)-5-fluorobenzimidazol-2-yl]-4,4-dimethylpentanoic acid
CID 14953067
4-[1-(4-Chloro-benzyl)-5-fluoro-1H-benzoimidazol-2-yl]-3,3-dimethyl-butyric acid
CID 14953072
{1-[1-(4-Chloro-benzyl)-5-fluoro-1H-benzoimidazol-2-ylmethyl]-cyclopropyl}-acetic acid
CID 14953073
{1-[1-(4-Chloro-benzyl)-5-fluoro-1H-benzoimidazol-2-ylmethyl]-cyclohexyl}-acetic acid
CID 14953075
4-[1-(4-Chloro-benzyl)-1H-benzoimidazol-2-yl]-3,3-dimethyl-butyric acid
CID 14953078
3-[1-(4-Chloro-benzyl)-1H-benzoimidazol-2-ylmethyl]-3-ethyl-pentanoic acid
CID 14953080
4-[5-Chloro-1-(4-chloro-benzyl)-1H-benzoimidazol-2-yl]-3,3-dimethyl-butyric acid
CID 14953084
4-[1-(3,4-Dichloro-benzyl)-5-fluoro-1H-benzoimidazol-2-yl]-3,3-dimethyl-butyric acid
CID 14953086
4-[1-(4-Bromo-benzyl)-5-fluoro-1H-benzoimidazol-2-yl]-3,3-dimethyl-butyric acid
CID 14953089
4-[5-Chloro-1-(3,4-dichloro-benzyl)-1H-benzoimidazol-2-yl]-3,3-dimethyl-butyric acid
CID 14953092

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopentyl]acetic acid (CID 15680093) is 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopentyl]acetic acid is O=C(O)CC1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopentyl]acetic acid?
The InChIKey is JHIOTIRMOCOMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN2O2/c23-16-5-3-15(4-6-16)14-26-19-8-7-17(24)11-18(19)25-20(26)12-22(13-21(27)28)9-1-2-10-22/h3-8,11H,1-2,9-10,12-14H2,(H,27,28).
What are the key properties of 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopentyl]acetic acid?
2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopentyl]acetic acid has a molecular weight of 400.88 g/mol, XLogP of 5.45, 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]cyclopentyl]acetic acid is sourced from PubChem (CID 15680093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).