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

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Related Compounds

N-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-N-methylpropane-1-sulfonamide
CID 97243165
ethyl 4-(5,6-dimethylbenzimidazol-1-yl)-3-hydroxybutanoate
CID 82775981
1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 110897311
(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid
CID 51704130
(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 766433
1-[4-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
CID 25352629
3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol
CID 64811932
ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate
CID 82770317
2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17028490
1-(5,6-dimethylbenzimidazol-1-yl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 110932874
(5R)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-propylimidazolidine-2,4-dione
CID 94386620
1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol
CID 47053529

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).