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

C20H22N2O3 — CID 15129939

IUPAC4-[(2-butylbenzimidazol-1-yl)methyl]-2-methoxybenzoic acid
SMILESCCCCc1nc2ccccc2n1Cc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C20H22N2O3/c1-3-4-9-19-21-16-7-5-6-8-17(16)22(19)13-14-10-11-15(20(23)24)18(12-14)25-2/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,23,24)
InChIKeyFIXGYYFKMFZXRM-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.13
Rot. Bonds7

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

4-[(2-butylbenzimidazol-1-yl)methyl]-2-methoxybenzoic acid (PubChem CID 15129939) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[(2-butylbenzimidazol-1-yl)methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(2-butylbenzimidazol-1-yl)methyl]-2-methoxybenzoic acid
PubChem CID15129939
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-[(2-butylbenzimidazol-1-yl)methyl]-2-methoxybenzoic acid
SMILESCCCCc1nc2ccccc2n1Cc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C20H22N2O3/c1-3-4-9-19-21-16-7-5-6-8-17(16)22(19)13-14-10-11-15(20(23)24)18(12-14)25-2/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,23,24)
InChIKeyFIXGYYFKMFZXRM-UHFFFAOYSA-N
XLogP4.13
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2-butylbenzimidazol-1-yl)methyl]-2-methoxybenzoic 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 4-[(2-butylbenzimidazol-1-yl)methyl]-2-methoxybenzoic acid?
The IUPAC name of 4-[(2-butylbenzimidazol-1-yl)methyl]-2-methoxybenzoic acid (CID 15129939) is 4-[(2-butylbenzimidazol-1-yl)methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[(2-butylbenzimidazol-1-yl)methyl]-2-methoxybenzoic acid?
The canonical SMILES for 4-[(2-butylbenzimidazol-1-yl)methyl]-2-methoxybenzoic acid is CCCCc1nc2ccccc2n1Cc1ccc(C(=O)O)c(OC)c1.
What is the InChIKey of 4-[(2-butylbenzimidazol-1-yl)methyl]-2-methoxybenzoic acid?
The InChIKey is FIXGYYFKMFZXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-4-9-19-21-16-7-5-6-8-17(16)22(19)13-14-10-11-15(20(23)24)18(12-14)25-2/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,23,24).
What are the key properties of 4-[(2-butylbenzimidazol-1-yl)methyl]-2-methoxybenzoic acid?
4-[(2-butylbenzimidazol-1-yl)methyl]-2-methoxybenzoic acid has a molecular weight of 338.41 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-butylbenzimidazol-1-yl)methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 15129939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).