6-[2-(dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine

C16H27N5O — CID 15955951

IUPAC6-[2-(dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine
SMILESCN(C)CCCn1c(N)nc2ccc(OCCN(C)C)cc21
InChIInChI=1S/C16H27N5O/c1-19(2)8-5-9-21-15-12-13(22-11-10-20(3)4)6-7-14(15)18-16(21)17/h6-7,12H,5,8-11H2,1-4H3,(H2,17,18)
InChIKeyFCJHSWMMHFFZRT-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.51
Rot. Bonds8

About 6-[2-(dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine

6-[2-(dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine (PubChem CID 15955951) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine
PubChem CID15955951
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name6-[2-(dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine
SMILESCN(C)CCCn1c(N)nc2ccc(OCCN(C)C)cc21
InChIInChI=1S/C16H27N5O/c1-19(2)8-5-9-21-15-12-13(22-11-10-20(3)4)6-7-14(15)18-16(21)17/h6-7,12H,5,8-11H2,1-4H3,(H2,17,18)
InChIKeyFCJHSWMMHFFZRT-UHFFFAOYSA-N
XLogP1.51
TPSA59.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine (CID 15955951) is 6-[2-(dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine is CN(C)CCCn1c(N)nc2ccc(OCCN(C)C)cc21.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine?
The InChIKey is FCJHSWMMHFFZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-19(2)8-5-9-21-15-12-13(22-11-10-20(3)4)6-7-14(15)18-16(21)17/h6-7,12H,5,8-11H2,1-4H3,(H2,17,18).
What are the key properties of 6-[2-(dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine?
6-[2-(dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine has a molecular weight of 305.43 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine is sourced from PubChem (CID 15955951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).