2-[[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-propylamino]-N-methylacetamide

C18H28N4O2 — CID 110900504

IUPAC2-[[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)CC(O)Cn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C18H28N4O2/c1-5-6-21(11-18(24)19-4)9-15(23)10-22-12-20-16-7-13(2)14(3)8-17(16)22/h7-8,12,15,23H,5-6,9-11H2,1-4H3,(H,19,24)
InChIKeySCBCLIKSMPEHHD-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.47
Rot. Bonds8

About 2-[[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-propylamino]-N-methylacetamide

2-[[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-propylamino]-N-methylacetamide (PubChem CID 110900504) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-propylamino]-N-methylacetamide
PubChem CID110900504
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-[[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)CC(O)Cn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C18H28N4O2/c1-5-6-21(11-18(24)19-4)9-15(23)10-22-12-20-16-7-13(2)14(3)8-17(16)22/h7-8,12,15,23H,5-6,9-11H2,1-4H3,(H,19,24)
InChIKeySCBCLIKSMPEHHD-UHFFFAOYSA-N
XLogP1.47
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-propylamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-propylamino]-N-methylacetamide?
The IUPAC name of 2-[[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-propylamino]-N-methylacetamide (CID 110900504) is 2-[[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)CC(O)Cn1cnc2cc(C)c(C)cc21.
What is the InChIKey of 2-[[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-propylamino]-N-methylacetamide?
The InChIKey is SCBCLIKSMPEHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-5-6-21(11-18(24)19-4)9-15(23)10-22-12-20-16-7-13(2)14(3)8-17(16)22/h7-8,12,15,23H,5-6,9-11H2,1-4H3,(H,19,24).
What are the key properties of 2-[[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-propylamino]-N-methylacetamide?
2-[[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-propylamino]-N-methylacetamide has a molecular weight of 332.45 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-propylamino]-N-methylacetamide is sourced from PubChem (CID 110900504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).