2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid

C18H13N3O2 — CID 42634637

IUPAC2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(-c2cccc3cccnc23)nc2ccccc21
InChIInChI=1S/C18H13N3O2/c22-16(23)11-21-15-9-2-1-8-14(15)20-18(21)13-7-3-5-12-6-4-10-19-17(12)13/h1-10H,11H2,(H,22,23)
InChIKeyZKBIXWADCXFAKM-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.34
Rot. Bonds3

About 2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid

2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid (PubChem CID 42634637) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid
PubChem CID42634637
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(-c2cccc3cccnc23)nc2ccccc21
InChIInChI=1S/C18H13N3O2/c22-16(23)11-21-15-9-2-1-8-14(15)20-18(21)13-7-3-5-12-6-4-10-19-17(12)13/h1-10H,11H2,(H,22,23)
InChIKeyZKBIXWADCXFAKM-UHFFFAOYSA-N
XLogP3.34
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic 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

2-(2-phenyl-1H-1,3-benzodiazol-1-yl)acetic acid
CID 619876
(2-Benzyl-1H-benzimidazol-1-yl)acetic acid
CID 622352
(2-Pyridin-2-yl-1H-benzimidazol-1-yl)acetic acid
CID 3164138
4-(6,7-Difluoro-1-methylbenzimidazol-2-yl)isoquinoline
CID 68053567
6,7-dimethyl-6H-indolo[2,3-b]quinoxaline
CID 3742567
N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11530954
2-[(3S)-3-[[2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazol-1-yl]methyl]-1-piperidyl]ethanol
CID 11597237
2-(1-Methyl-1H-imidazo[4,5-c]pyridin-2-yl)quinoline
CID 621221
Methyl 2-indolo[3,2-b]quinoxalin-6-ylacetate
CID 795706
6-Imidazol-1-ylmethyl-8-phenyl-quinoline
CID 10565073
2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoline
CID 70648564
2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinoline
CID 71203905

Frequently Asked Questions

What is the IUPAC name of 2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid (CID 42634637) is 2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid is O=C(O)Cn1c(-c2cccc3cccnc23)nc2ccccc21.
What is the InChIKey of 2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid?
The InChIKey is ZKBIXWADCXFAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-16(23)11-21-15-9-2-1-8-14(15)20-18(21)13-7-3-5-12-6-4-10-19-17(12)13/h1-10H,11H2,(H,22,23).
What are the key properties of 2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid?
2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid has a molecular weight of 303.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 42634637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).