2-amino-1-(3-phenylmethoxy-4-propan-2-ylphenyl)benzimidazole-5-carboxylic acid

C24H23N3O3 — CID 118568911

IUPAC2-amino-1-(3-phenylmethoxy-4-propan-2-ylphenyl)benzimidazole-5-carboxylic acid
SMILESCC(C)c1ccc(-n2c(N)nc3cc(C(=O)O)ccc32)cc1OCc1ccccc1
InChIInChI=1S/C24H23N3O3/c1-15(2)19-10-9-18(13-22(19)30-14-16-6-4-3-5-7-16)27-21-11-8-17(23(28)29)12-20(21)26-24(27)25/h3-13,15H,14H2,1-2H3,(H2,25,26)(H,28,29)
InChIKeyILRWGEDAEUPPBC-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.01
Rot. Bonds6

About 2-amino-1-(3-phenylmethoxy-4-propan-2-ylphenyl)benzimidazole-5-carboxylic acid

2-amino-1-(3-phenylmethoxy-4-propan-2-ylphenyl)benzimidazole-5-carboxylic acid (PubChem CID 118568911) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-amino-1-(3-phenylmethoxy-4-propan-2-ylphenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-1-(3-phenylmethoxy-4-propan-2-ylphenyl)benzimidazole-5-carboxylic acid
PubChem CID118568911
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name2-amino-1-(3-phenylmethoxy-4-propan-2-ylphenyl)benzimidazole-5-carboxylic acid
SMILESCC(C)c1ccc(-n2c(N)nc3cc(C(=O)O)ccc32)cc1OCc1ccccc1
InChIInChI=1S/C24H23N3O3/c1-15(2)19-10-9-18(13-22(19)30-14-16-6-4-3-5-7-16)27-21-11-8-17(23(28)29)12-20(21)26-24(27)25/h3-13,15H,14H2,1-2H3,(H2,25,26)(H,28,29)
InChIKeyILRWGEDAEUPPBC-UHFFFAOYSA-N
XLogP5.01
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-(3-phenylmethoxy-4-propan-2-ylphenyl)benzimidazole-5-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 2-amino-1-(3-phenylmethoxy-4-propan-2-ylphenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-amino-1-(3-phenylmethoxy-4-propan-2-ylphenyl)benzimidazole-5-carboxylic acid (CID 118568911) is 2-amino-1-(3-phenylmethoxy-4-propan-2-ylphenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-1-(3-phenylmethoxy-4-propan-2-ylphenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-amino-1-(3-phenylmethoxy-4-propan-2-ylphenyl)benzimidazole-5-carboxylic acid is CC(C)c1ccc(-n2c(N)nc3cc(C(=O)O)ccc32)cc1OCc1ccccc1.
What is the InChIKey of 2-amino-1-(3-phenylmethoxy-4-propan-2-ylphenyl)benzimidazole-5-carboxylic acid?
The InChIKey is ILRWGEDAEUPPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15(2)19-10-9-18(13-22(19)30-14-16-6-4-3-5-7-16)27-21-11-8-17(23(28)29)12-20(21)26-24(27)25/h3-13,15H,14H2,1-2H3,(H2,25,26)(H,28,29).
What are the key properties of 2-amino-1-(3-phenylmethoxy-4-propan-2-ylphenyl)benzimidazole-5-carboxylic acid?
2-amino-1-(3-phenylmethoxy-4-propan-2-ylphenyl)benzimidazole-5-carboxylic acid has a molecular weight of 401.47 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-phenylmethoxy-4-propan-2-ylphenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 118568911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).