3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]-2-methylpropanoic acid

C19H20N4O3 — CID 129259706

IUPAC3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]-2-methylpropanoic acid
SMILESCc1nc2cc(C(=O)N(CC(C)C(=O)O)c3ccccn3)ccc2n1C
InChIInChI=1S/C19H20N4O3/c1-12(19(25)26)11-23(17-6-4-5-9-20-17)18(24)14-7-8-16-15(10-14)21-13(2)22(16)3/h4-10,12H,11H2,1-3H3,(H,25,26)
InChIKeyFNPJODSLIITFRG-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.64
Rot. Bonds5

About 3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]-2-methylpropanoic acid

3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]-2-methylpropanoic acid (PubChem CID 129259706) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]-2-methylpropanoic acid
PubChem CID129259706
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]-2-methylpropanoic acid
SMILESCc1nc2cc(C(=O)N(CC(C)C(=O)O)c3ccccn3)ccc2n1C
InChIInChI=1S/C19H20N4O3/c1-12(19(25)26)11-23(17-6-4-5-9-20-17)18(24)14-7-8-16-15(10-14)21-13(2)22(16)3/h4-10,12H,11H2,1-3H3,(H,25,26)
InChIKeyFNPJODSLIITFRG-UHFFFAOYSA-N
XLogP2.64
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]-2-methylpropanoic 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

methyl 3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate
CID 86298230
ethyl 3-[(1-methyl-2-propan-2-ylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate
CID 118909549
3-(1,2-dimethylbenzimidazol-5-yl)-2-methyl-3-oxopropanoic acid
CID 116918248
N,N-dibenzyl-1,2-dimethylbenzimidazole-5-carboxamide
CID 100776245
ethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate
CID 118909548
1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide
CID 110765853
1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 110765787
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
ethyl 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]acetate;hydrochloride
CID 18412300
3-[[2-[[4-[(Z)-N'-methoxycarbonylcarbamimidoyl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid
CID 10009387
ethanol;ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;hydrochloride
CID 45280064
N-butyl-2-[(4-carbamimidoylanilino)methyl]-1-methyl-N-pyridin-2-ylbenzimidazole-5-carboxamide
CID 90179990

Frequently Asked Questions

What is the IUPAC name of 3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]-2-methylpropanoic acid (CID 129259706) is 3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]-2-methylpropanoic acid is Cc1nc2cc(C(=O)N(CC(C)C(=O)O)c3ccccn3)ccc2n1C.
What is the InChIKey of 3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]-2-methylpropanoic acid?
The InChIKey is FNPJODSLIITFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12(19(25)26)11-23(17-6-4-5-9-20-17)18(24)14-7-8-16-15(10-14)21-13(2)22(16)3/h4-10,12H,11H2,1-3H3,(H,25,26).
What are the key properties of 3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]-2-methylpropanoic acid?
3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]-2-methylpropanoic acid has a molecular weight of 352.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]-2-methylpropanoic acid is sourced from PubChem (CID 129259706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).