3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol

C14H21N3O2 — CID 82024878

IUPAC3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol
SMILESCc1cc2nc(CCN)n(CC(O)CO)c2cc1C
InChIInChI=1S/C14H21N3O2/c1-9-5-12-13(6-10(9)2)17(7-11(19)8-18)14(16-12)3-4-15/h5-6,11,18-19H,3-4,7-8,15H2,1-2H3
InChIKeyWGWVHJHCRSNEPG-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.51
Rot. Bonds5

About 3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol

3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol (PubChem CID 82024878) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol
PubChem CID82024878
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol
SMILESCc1cc2nc(CCN)n(CC(O)CO)c2cc1C
InChIInChI=1S/C14H21N3O2/c1-9-5-12-13(6-10(9)2)17(7-11(19)8-18)14(16-12)3-4-15/h5-6,11,18-19H,3-4,7-8,15H2,1-2H3
InChIKeyWGWVHJHCRSNEPG-UHFFFAOYSA-N
XLogP0.51
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol 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-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol
CID 82024907
3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82145072
2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
CID 92635833
2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine
CID 46310938
7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione
CID 166944134
3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308503
2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid
CID 62336746
2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine
CID 82145095
3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 94756198
10-(2,5-dihydroxypentyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 59115245
3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308504
2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol
CID 82149314

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol (CID 82024878) is 3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol is Cc1cc2nc(CCN)n(CC(O)CO)c2cc1C.
What is the InChIKey of 3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol?
The InChIKey is WGWVHJHCRSNEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-5-12-13(6-10(9)2)17(7-11(19)8-18)14(16-12)3-4-15/h5-6,11,18-19H,3-4,7-8,15H2,1-2H3.
What are the key properties of 3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol?
3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol has a molecular weight of 263.34 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 82024878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).