2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine

C18H22N4O — CID 94748156

IUPAC2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine
SMILESCc1cc2nc(-c3cccnc3)n(CCOCCN)c2cc1C
InChIInChI=1S/C18H22N4O/c1-13-10-16-17(11-14(13)2)22(7-9-23-8-5-19)18(21-16)15-4-3-6-20-12-15/h3-4,6,10-12H,5,7-9,19H2,1-2H3
InChIKeyYDKBUUGDSQRKHA-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.69
Rot. Bonds6

About 2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine

2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine (PubChem CID 94748156) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine
PubChem CID94748156
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine
SMILESCc1cc2nc(-c3cccnc3)n(CCOCCN)c2cc1C
InChIInChI=1S/C18H22N4O/c1-13-10-16-17(11-14(13)2)22(7-9-23-8-5-19)18(21-16)15-4-3-6-20-12-15/h3-4,6,10-12H,5,7-9,19H2,1-2H3
InChIKeyYDKBUUGDSQRKHA-UHFFFAOYSA-N
XLogP2.69
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine
CID 82145196
2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine
CID 94749231
2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanamine
CID 28752905
2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145913
3-[(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)methyl]benzonitrile
CID 39157957
2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145276
2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile
CID 39158040
2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine
CID 82145483
5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole
CID 10966745
4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine
CID 94748001
1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
CID 82145915
2-pyridin-3-yl-1-undecylbenzimidazole
CID 18878842

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine (CID 94748156) is 2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine is Cc1cc2nc(-c3cccnc3)n(CCOCCN)c2cc1C.
What is the InChIKey of 2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine?
The InChIKey is YDKBUUGDSQRKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-10-16-17(11-14(13)2)22(7-9-23-8-5-19)18(21-16)15-4-3-6-20-12-15/h3-4,6,10-12H,5,7-9,19H2,1-2H3.
What are the key properties of 2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine?
2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine has a molecular weight of 310.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 94748156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).