3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-2,2-dimethylpropanoic acid

C19H18ClFN2O2 — CID 14953077

IUPAC3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C19H18ClFN2O2/c1-19(2,18(24)25)10-17-22-15-9-14(21)7-8-16(15)23(17)11-12-3-5-13(20)6-4-12/h3-9H,10-11H2,1-2H3,(H,24,25)
InChIKeyURQHGYDUPBKZRB-UHFFFAOYSA-N
MW360.82 g/mol
LogP4.53
Rot. Bonds5

About 3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-2,2-dimethylpropanoic acid

3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-2,2-dimethylpropanoic acid (PubChem CID 14953077) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is 3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-2,2-dimethylpropanoic acid
PubChem CID14953077
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Name3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C19H18ClFN2O2/c1-19(2,18(24)25)10-17-22-15-9-14(21)7-8-16(15)23(17)11-12-3-5-13(20)6-4-12/h3-9H,10-11H2,1-2H3,(H,24,25)
InChIKeyURQHGYDUPBKZRB-UHFFFAOYSA-N
XLogP4.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-2,2-dimethylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-2,2-dimethylpropanoic acid (CID 14953077) is 3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-2,2-dimethylpropanoic acid is CC(C)(Cc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-2,2-dimethylpropanoic acid?
The InChIKey is URQHGYDUPBKZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-19(2,18(24)25)10-17-22-15-9-14(21)7-8-16(15)23(17)11-12-3-5-13(20)6-4-12/h3-9H,10-11H2,1-2H3,(H,24,25).
What are the key properties of 3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-2,2-dimethylpropanoic acid?
3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-2,2-dimethylpropanoic acid has a molecular weight of 360.82 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 14953077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).