N,N-dimethyl-2-(1-phenylbenzimidazol-5-yl)oxyethanamine

C17H19N3O — CID 5328506

IUPACN,N-dimethyl-2-(1-phenylbenzimidazol-5-yl)oxyethanamine
SMILESCN(C)CCOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C17H19N3O/c1-19(2)10-11-21-15-8-9-17-16(12-15)18-13-20(17)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyWKHHTMXHSFWCIX-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.97
Rot. Bonds5

About N,N-dimethyl-2-(1-phenylbenzimidazol-5-yl)oxyethanamine

N,N-dimethyl-2-(1-phenylbenzimidazol-5-yl)oxyethanamine (PubChem CID 5328506) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-phenylbenzimidazol-5-yl)oxyethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-phenylbenzimidazol-5-yl)oxyethanamine
PubChem CID5328506
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN,N-dimethyl-2-(1-phenylbenzimidazol-5-yl)oxyethanamine
SMILESCN(C)CCOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C17H19N3O/c1-19(2)10-11-21-15-8-9-17-16(12-15)18-13-20(17)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyWKHHTMXHSFWCIX-UHFFFAOYSA-N
XLogP2.97
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-phenylbenzimidazol-5-yl)oxyethanamine?
The IUPAC name of N,N-dimethyl-2-(1-phenylbenzimidazol-5-yl)oxyethanamine (CID 5328506) is N,N-dimethyl-2-(1-phenylbenzimidazol-5-yl)oxyethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1-phenylbenzimidazol-5-yl)oxyethanamine?
The canonical SMILES for N,N-dimethyl-2-(1-phenylbenzimidazol-5-yl)oxyethanamine is CN(C)CCOc1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-(1-phenylbenzimidazol-5-yl)oxyethanamine?
The InChIKey is WKHHTMXHSFWCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-19(2)10-11-21-15-8-9-17-16(12-15)18-13-20(17)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1-phenylbenzimidazol-5-yl)oxyethanamine?
N,N-dimethyl-2-(1-phenylbenzimidazol-5-yl)oxyethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-phenylbenzimidazol-5-yl)oxyethanamine is sourced from PubChem (CID 5328506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).