2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine

C15H23N3O — CID 103227498

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine
SMILESCCNCC(COC)n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C15H23N3O/c1-5-16-8-13(9-19-4)18-10-17-14-6-11(2)12(3)7-15(14)18/h6-7,10,13,16H,5,8-9H2,1-4H3
InChIKeyXPJXSXGRWSDLQV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.45
Rot. Bonds6

About 2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine

2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine (PubChem CID 103227498) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine
PubChem CID103227498
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine
SMILESCCNCC(COC)n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C15H23N3O/c1-5-16-8-13(9-19-4)18-10-17-14-6-11(2)12(3)7-15(14)18/h6-7,10,13,16H,5,8-9H2,1-4H3
InChIKeyXPJXSXGRWSDLQV-UHFFFAOYSA-N
XLogP2.45
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine (CID 103227498) is 2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine is CCNCC(COC)n1cnc2cc(C)c(C)cc21.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine?
The InChIKey is XPJXSXGRWSDLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-5-16-8-13(9-19-4)18-10-17-14-6-11(2)12(3)7-15(14)18/h6-7,10,13,16H,5,8-9H2,1-4H3.
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine?
2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylbenzimidazol-1-yl)-N-ethyl-3-methoxypropan-1-amine is sourced from PubChem (CID 103227498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).