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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Related Compounds

N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
CID 21391
1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole
CID 3756820
ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate
CID 3782028
2-(2-phenylbenzimidazol-1-yl)oxyacetic acid
CID 1483105
N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine
CID 175453602
1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole
CID 69420518
N,N-diethyl-3-[4-[1-[(E)-4-(2-phenylbenzimidazol-1-yl)but-2-enyl]benzimidazol-2-yl]phenoxy]propan-1-amine
CID 15291585
N,N-diethyl-3-[4-[1-[(E)-4-[2-(4-methoxyphenyl)benzimidazol-1-yl]but-2-enyl]benzimidazol-2-yl]phenoxy]propan-1-amine
CID 19938405
2-[4-[6-[2-(diethylamino)ethoxy]-1-phenylbenzimidazol-2-yl]phenoxy]-N,N-diethylethanamine
CID 11799561
(2-phenylbenzimidazol-1-yl) hypochlorite
CID 68724348
2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82144822
cobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride
CID 70012320

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).