propyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate

C15H21N3O2 — CID 82359019

IUPACpropyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate
SMILESCCCOC(=O)C(C)n1c(N)nc2cc(C)c(C)cc21
InChIInChI=1S/C15H21N3O2/c1-5-6-20-14(19)11(4)18-13-8-10(3)9(2)7-12(13)17-15(18)16/h7-8,11H,5-6H2,1-4H3,(H2,16,17)
InChIKeyNHCSKCZWQCFFBE-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.75
Rot. Bonds4

About propyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate

propyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate (PubChem CID 82359019) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is propyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate.

Molecular Properties

Compound Namepropyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate
PubChem CID82359019
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Namepropyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate
SMILESCCCOC(=O)C(C)n1c(N)nc2cc(C)c(C)cc21
InChIInChI=1S/C15H21N3O2/c1-5-6-20-14(19)11(4)18-13-8-10(3)9(2)7-12(13)17-15(18)16/h7-8,11H,5-6H2,1-4H3,(H2,16,17)
InChIKeyNHCSKCZWQCFFBE-UHFFFAOYSA-N
XLogP2.75
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate 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-(2-amino-5,6-dimethylbenzimidazol-1-yl)butan-2-one
CID 82359054
butan-2-yl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate
CID 82359022
propyl 2-(2-aminobenzimidazol-1-yl)propanoate
CID 82358921
ethyl 2-(2-amino-5-iodobenzimidazol-1-yl)propanoate
CID 66080797
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)propanoate
CID 66076580
5,6-dimethyl-1-(1-phenylethyl)benzimidazol-2-amine
CID 82359041
3-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)butan-2-one
CID 82359245
5,6-dimethyl-1-propylbenzimidazol-2-amine
CID 82359039
propyl 2-carbazol-9-ylpropanoate
CID 20752206
methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate
CID 62377357
1-heptyl-5,6-dimethylbenzimidazol-2-amine
CID 82359044
ethyl 2-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)propanoate
CID 79288175

Frequently Asked Questions

What is the IUPAC name of propyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate?
The IUPAC name of propyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate (CID 82359019) is propyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate.
What is the SMILES notation for propyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate?
The canonical SMILES for propyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate is CCCOC(=O)C(C)n1c(N)nc2cc(C)c(C)cc21.
What is the InChIKey of propyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate?
The InChIKey is NHCSKCZWQCFFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-6-20-14(19)11(4)18-13-8-10(3)9(2)7-12(13)17-15(18)16/h7-8,11H,5-6H2,1-4H3,(H2,16,17).
What are the key properties of propyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate?
propyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate has a molecular weight of 275.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2-amino-5,6-dimethylbenzimidazol-1-yl)propanoate is sourced from PubChem (CID 82359019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).