3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid

C24H22N2O2 — CID 134146881

IUPAC3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
SMILESCCCc1nc2ccccc2n1Cc1ccc(-c2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C24H22N2O2/c1-2-6-23-25-21-9-3-4-10-22(21)26(23)16-17-11-13-18(14-12-17)19-7-5-8-20(15-19)24(27)28/h3-5,7-15H,2,6,16H2,1H3,(H,27,28)
InChIKeyVDZUXKOEMHGTFA-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.40
Rot. Bonds6

About 3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid

3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid (PubChem CID 134146881) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
PubChem CID134146881
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
SMILESCCCc1nc2ccccc2n1Cc1ccc(-c2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C24H22N2O2/c1-2-6-23-25-21-9-3-4-10-22(21)26(23)16-17-11-13-18(14-12-17)19-7-5-8-20(15-19)24(27)28/h3-5,7-15H,2,6,16H2,1H3,(H,27,28)
InChIKeyVDZUXKOEMHGTFA-UHFFFAOYSA-N
XLogP5.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid?
The IUPAC name of 3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid (CID 134146881) is 3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid.
What is the SMILES notation for 3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid?
The canonical SMILES for 3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid is CCCc1nc2ccccc2n1Cc1ccc(-c2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid?
The InChIKey is VDZUXKOEMHGTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-2-6-23-25-21-9-3-4-10-22(21)26(23)16-17-11-13-18(14-12-17)19-7-5-8-20(15-19)24(27)28/h3-5,7-15H,2,6,16H2,1H3,(H,27,28).
What are the key properties of 3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid?
3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid has a molecular weight of 370.45 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid is sourced from PubChem (CID 134146881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).