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

C25H24N2O2 — CID 4110026

IUPAC2-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
SMILESCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C25H24N2O2/c1-2-3-12-24-26-22-10-6-7-11-23(22)27(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25(28)29/h4-11,13-16H,2-3,12,17H2,1H3,(H,28,29)
InChIKeyTVNBFJNQCWCHHE-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.79
Rot. Bonds7

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

2-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid (PubChem CID 4110026) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
PubChem CID4110026
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name2-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
SMILESCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C25H24N2O2/c1-2-3-12-24-26-22-10-6-7-11-23(22)27(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25(28)29/h4-11,13-16H,2-3,12,17H2,1H3,(H,28,29)
InChIKeyTVNBFJNQCWCHHE-UHFFFAOYSA-N
XLogP5.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid (CID 4110026) is 2-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid is CCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid?
The InChIKey is TVNBFJNQCWCHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-2-3-12-24-26-22-10-6-7-11-23(22)27(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25(28)29/h4-11,13-16H,2-3,12,17H2,1H3,(H,28,29).
What are the key properties of 2-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid?
2-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid has a molecular weight of 384.48 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid is sourced from PubChem (CID 4110026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).