6-(5,6-dimethylbenzimidazol-1-yl)-N-ethylhexan-3-amine

C17H27N3 — CID 106800242

IUPAC6-(5,6-dimethylbenzimidazol-1-yl)-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C17H27N3/c1-5-15(18-6-2)8-7-9-20-12-19-16-10-13(3)14(4)11-17(16)20/h10-12,15,18H,5-9H2,1-4H3
InChIKeyQLKAFZQVJXLKQK-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.82
Rot. Bonds7

About 6-(5,6-dimethylbenzimidazol-1-yl)-N-ethylhexan-3-amine

6-(5,6-dimethylbenzimidazol-1-yl)-N-ethylhexan-3-amine (PubChem CID 106800242) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 6-(5,6-dimethylbenzimidazol-1-yl)-N-ethylhexan-3-amine.

Molecular Properties

Compound Name6-(5,6-dimethylbenzimidazol-1-yl)-N-ethylhexan-3-amine
PubChem CID106800242
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name6-(5,6-dimethylbenzimidazol-1-yl)-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C17H27N3/c1-5-15(18-6-2)8-7-9-20-12-19-16-10-13(3)14(4)11-17(16)20/h10-12,15,18H,5-9H2,1-4H3
InChIKeyQLKAFZQVJXLKQK-UHFFFAOYSA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol
CID 64811932
5,6-dimethyl-1-nonylbenzimidazole
CID 16994999
1-(3-ethylsulfanylpropyl)-5,6-dimethylbenzimidazole
CID 115650935
N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine
CID 63502282
4-(5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62449256
1-(2-ethoxyethyl)-5,6-dimethylbenzimidazole;hydrochloride
CID 18593123
6-(3,5-dimethylpyrazol-1-yl)-N-ethylhexan-3-amine
CID 106800211
5,6-dimethyl-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16995047
1-hept-6-enyl-5,6-dimethylbenzimidazole
CID 107010217
1-[2-(2-butoxyphenoxy)ethyl]-5,6-dimethylbenzimidazole
CID 2231812
1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine
CID 62563334
N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]-N-octyloctan-1-amine
CID 134294647

Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dimethylbenzimidazol-1-yl)-N-ethylhexan-3-amine?
The IUPAC name of 6-(5,6-dimethylbenzimidazol-1-yl)-N-ethylhexan-3-amine (CID 106800242) is 6-(5,6-dimethylbenzimidazol-1-yl)-N-ethylhexan-3-amine.
What is the SMILES notation for 6-(5,6-dimethylbenzimidazol-1-yl)-N-ethylhexan-3-amine?
The canonical SMILES for 6-(5,6-dimethylbenzimidazol-1-yl)-N-ethylhexan-3-amine is CCNC(CC)CCCn1cnc2cc(C)c(C)cc21.
What is the InChIKey of 6-(5,6-dimethylbenzimidazol-1-yl)-N-ethylhexan-3-amine?
The InChIKey is QLKAFZQVJXLKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-5-15(18-6-2)8-7-9-20-12-19-16-10-13(3)14(4)11-17(16)20/h10-12,15,18H,5-9H2,1-4H3.
What are the key properties of 6-(5,6-dimethylbenzimidazol-1-yl)-N-ethylhexan-3-amine?
6-(5,6-dimethylbenzimidazol-1-yl)-N-ethylhexan-3-amine has a molecular weight of 273.42 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dimethylbenzimidazol-1-yl)-N-ethylhexan-3-amine is sourced from PubChem (CID 106800242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).