2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]benzoic acid

C28H24N2O2 — CID 15069396

IUPAC2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]benzoic acid
SMILESCCCc1nc2cc3ccccc3cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C28H24N2O2/c1-2-7-27-29-25-16-21-8-3-4-9-22(21)17-26(25)30(27)18-19-12-14-20(15-13-19)23-10-5-6-11-24(23)28(31)32/h3-6,8-17H,2,7,18H2,1H3,(H,31,32)
InChIKeyFBEQJIXUAGEQMA-UHFFFAOYSA-N
MW420.51 g/mol
LogP6.56
Rot. Bonds6

About 2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]benzoic acid

2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]benzoic acid (PubChem CID 15069396) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]benzoic acid
PubChem CID15069396
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]benzoic acid
SMILESCCCc1nc2cc3ccccc3cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C28H24N2O2/c1-2-7-27-29-25-16-21-8-3-4-9-22(21)17-26(25)30(27)18-19-12-14-20(15-13-19)23-10-5-6-11-24(23)28(31)32/h3-6,8-17H,2,7,18H2,1H3,(H,31,32)
InChIKeyFBEQJIXUAGEQMA-UHFFFAOYSA-N
XLogP6.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]benzoic acid (CID 15069396) is 2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]benzoic acid is CCCc1nc2cc3ccccc3cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]benzoic acid?
The InChIKey is FBEQJIXUAGEQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c1-2-7-27-29-25-16-21-8-3-4-9-22(21)17-26(25)30(27)18-19-12-14-20(15-13-19)23-10-5-6-11-24(23)28(31)32/h3-6,8-17H,2,7,18H2,1H3,(H,31,32).
What are the key properties of 2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]benzoic acid?
2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]benzoic acid has a molecular weight of 420.51 g/mol, XLogP of 6.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-propylbenzo[f]benzimidazol-3-yl)methyl]phenyl]benzoic acid is sourced from PubChem (CID 15069396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).