3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-carboxylic acid

C17H14N2O2 — CID 107849976

IUPAC3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2ncn(C3Cc4ccccc4C3)c12
InChIInChI=1S/C17H14N2O2/c20-17(21)14-6-3-7-15-16(14)19(10-18-15)13-8-11-4-1-2-5-12(11)9-13/h1-7,10,13H,8-9H2,(H,20,21)
InChIKeyBWJGDJQWGJQVFK-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.07
Rot. Bonds2

About 3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-carboxylic acid

3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-carboxylic acid (PubChem CID 107849976) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-carboxylic acid
PubChem CID107849976
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2ncn(C3Cc4ccccc4C3)c12
InChIInChI=1S/C17H14N2O2/c20-17(21)14-6-3-7-15-16(14)19(10-18-15)13-8-11-4-1-2-5-12(11)9-13/h1-7,10,13H,8-9H2,(H,20,21)
InChIKeyBWJGDJQWGJQVFK-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-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

Related Compounds

3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 115933176
3-cyclopropyl-N-methylbenzimidazole-4-carboxamide
CID 67433023
3-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115933547
3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid
CID 115933499
3-benzylbenzimidazole-4-carboxylic acid
CID 83413316
3-(1-cyclopropylethyl)benzimidazole-4-carboxylic acid
CID 112577152
3-(2-iodophenyl)benzimidazole-4-carboxylic acid
CID 112577044
3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid
CID 107602181
3-propylbenzimidazole-4-carboxylic acid
CID 82647147
3-[1-(trifluoromethyl)cyclopropyl]benzimidazole-4-carboxylic acid
CID 114159548
1-(2,3-dihydro-1H-inden-2-yl)-5-[3-(3-hydroxypropoxy)phenyl]imidazole-4-carboxylic acid
CID 70311258
3-(1-phenylpropan-2-yl)benzimidazole-4-carboxylic acid
CID 115933338

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-carboxylic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-carboxylic acid (CID 107849976) is 3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-carboxylic acid is O=C(O)c1cccc2ncn(C3Cc4ccccc4C3)c12.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-carboxylic acid?
The InChIKey is BWJGDJQWGJQVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-17(21)14-6-3-7-15-16(14)19(10-18-15)13-8-11-4-1-2-5-12(11)9-13/h1-7,10,13H,8-9H2,(H,20,21).
What are the key properties of 3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-carboxylic acid?
3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 107849976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).