4-[1-methyl-2-[(4-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid

C23H26N2O3 — CID 162665973

IUPAC4-[1-methyl-2-[(4-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid
SMILESCc1ccc(Cc2nc3cc(OC4CCC(C(=O)O)CC4)ccc3n2C)cc1
InChIInChI=1S/C23H26N2O3/c1-15-3-5-16(6-4-15)13-22-24-20-14-19(11-12-21(20)25(22)2)28-18-9-7-17(8-10-18)23(26)27/h3-6,11-12,14,17-18H,7-10,13H2,1-2H3,(H,26,27)
InChIKeyGVKZTDRSCODZBO-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.49
Rot. Bonds5

About 4-[1-methyl-2-[(4-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid

4-[1-methyl-2-[(4-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid (PubChem CID 162665973) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-[1-methyl-2-[(4-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-methyl-2-[(4-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid
PubChem CID162665973
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name4-[1-methyl-2-[(4-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid
SMILESCc1ccc(Cc2nc3cc(OC4CCC(C(=O)O)CC4)ccc3n2C)cc1
InChIInChI=1S/C23H26N2O3/c1-15-3-5-16(6-4-15)13-22-24-20-14-19(11-12-21(20)25(22)2)28-18-9-7-17(8-10-18)23(26)27/h3-6,11-12,14,17-18H,7-10,13H2,1-2H3,(H,26,27)
InChIKeyGVKZTDRSCODZBO-UHFFFAOYSA-N
XLogP4.49
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-methyl-2-[(4-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic 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-[1-methyl-2-[(4-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-methyl-2-[(4-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid (CID 162665973) is 4-[1-methyl-2-[(4-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-methyl-2-[(4-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-methyl-2-[(4-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid is Cc1ccc(Cc2nc3cc(OC4CCC(C(=O)O)CC4)ccc3n2C)cc1.
What is the InChIKey of 4-[1-methyl-2-[(4-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid?
The InChIKey is GVKZTDRSCODZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15-3-5-16(6-4-15)13-22-24-20-14-19(11-12-21(20)25(22)2)28-18-9-7-17(8-10-18)23(26)27/h3-6,11-12,14,17-18H,7-10,13H2,1-2H3,(H,26,27).
What are the key properties of 4-[1-methyl-2-[(4-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid?
4-[1-methyl-2-[(4-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid has a molecular weight of 378.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-2-[(4-methylphenyl)methyl]benzimidazol-5-yl]oxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 162665973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).