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

C20H18ClFN2O2 — CID 14953073

IUPAC2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H18ClFN2O2/c21-14-3-1-13(2-4-14)12-24-17-6-5-15(22)9-16(17)23-18(24)10-20(7-8-20)11-19(25)26/h1-6,9H,7-8,10-12H2,(H,25,26)
InChIKeyXXJXZRBBJBHJRP-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.67
Rot. Bonds6

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

2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopropyl]acetic acid (PubChem CID 14953073) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopropyl]acetic acid
PubChem CID14953073
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC Name2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H18ClFN2O2/c21-14-3-1-13(2-4-14)12-24-17-6-5-15(22)9-16(17)23-18(24)10-20(7-8-20)11-19(25)26/h1-6,9H,7-8,10-12H2,(H,25,26)
InChIKeyXXJXZRBBJBHJRP-UHFFFAOYSA-N
XLogP4.67
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.67
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]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopropyl]acetic acid (CID 14953073) is 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopropyl]acetic acid is O=C(O)CC1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopropyl]acetic acid?
The InChIKey is XXJXZRBBJBHJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c21-14-3-1-13(2-4-14)12-24-17-6-5-15(22)9-16(17)23-18(24)10-20(7-8-20)11-19(25)26/h1-6,9H,7-8,10-12H2,(H,25,26).
What are the key properties of 2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopropyl]acetic acid?
2-[1-[[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]methyl]cyclopropyl]acetic acid has a molecular weight of 372.83 g/mol, XLogP of 4.67, 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]cyclopropyl]acetic acid is sourced from PubChem (CID 14953073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).