N,N-diethyl-2-(2-pyridin-4-ylbenzimidazol-1-yl)oxyethanamine

C18H22N4O — CID 163916799

IUPACN,N-diethyl-2-(2-pyridin-4-ylbenzimidazol-1-yl)oxyethanamine
SMILESCCN(CC)CCOn1c(-c2ccncc2)nc2ccccc21
InChIInChI=1S/C18H22N4O/c1-3-21(4-2)13-14-23-22-17-8-6-5-7-16(17)20-18(22)15-9-11-19-12-10-15/h5-12H,3-4,13-14H2,1-2H3
InChIKeyQWYUFBLIDFKZPC-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.87
Rot. Bonds7

About N,N-diethyl-2-(2-pyridin-4-ylbenzimidazol-1-yl)oxyethanamine

N,N-diethyl-2-(2-pyridin-4-ylbenzimidazol-1-yl)oxyethanamine (PubChem CID 163916799) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N,N-diethyl-2-(2-pyridin-4-ylbenzimidazol-1-yl)oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(2-pyridin-4-ylbenzimidazol-1-yl)oxyethanamine
PubChem CID163916799
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN,N-diethyl-2-(2-pyridin-4-ylbenzimidazol-1-yl)oxyethanamine
SMILESCCN(CC)CCOn1c(-c2ccncc2)nc2ccccc21
InChIInChI=1S/C18H22N4O/c1-3-21(4-2)13-14-23-22-17-8-6-5-7-16(17)20-18(22)15-9-11-19-12-10-15/h5-12H,3-4,13-14H2,1-2H3
InChIKeyQWYUFBLIDFKZPC-UHFFFAOYSA-N
XLogP2.87
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-pyridin-4-ylbenzimidazol-1-yl)oxyethanamine?
The IUPAC name of N,N-diethyl-2-(2-pyridin-4-ylbenzimidazol-1-yl)oxyethanamine (CID 163916799) is N,N-diethyl-2-(2-pyridin-4-ylbenzimidazol-1-yl)oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-(2-pyridin-4-ylbenzimidazol-1-yl)oxyethanamine?
The canonical SMILES for N,N-diethyl-2-(2-pyridin-4-ylbenzimidazol-1-yl)oxyethanamine is CCN(CC)CCOn1c(-c2ccncc2)nc2ccccc21.
What is the InChIKey of N,N-diethyl-2-(2-pyridin-4-ylbenzimidazol-1-yl)oxyethanamine?
The InChIKey is QWYUFBLIDFKZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-21(4-2)13-14-23-22-17-8-6-5-7-16(17)20-18(22)15-9-11-19-12-10-15/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2-pyridin-4-ylbenzimidazol-1-yl)oxyethanamine?
N,N-diethyl-2-(2-pyridin-4-ylbenzimidazol-1-yl)oxyethanamine has a molecular weight of 310.40 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-pyridin-4-ylbenzimidazol-1-yl)oxyethanamine is sourced from PubChem (CID 163916799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).