1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine

C15H21N3O2 — CID 115824368

IUPAC1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCNC(Cc1nc2ccccc2n1C)C1COCCO1
InChIInChI=1S/C15H21N3O2/c1-16-12(14-10-19-7-8-20-14)9-15-17-11-5-3-4-6-13(11)18(15)2/h3-6,12,14,16H,7-10H2,1-2H3
InChIKeyOFKBWKJZWDNUCV-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.12
Rot. Bonds4

About 1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine

1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine (PubChem CID 115824368) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
PubChem CID115824368
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCNC(Cc1nc2ccccc2n1C)C1COCCO1
InChIInChI=1S/C15H21N3O2/c1-16-12(14-10-19-7-8-20-14)9-15-17-11-5-3-4-6-13(11)18(15)2/h3-6,12,14,16H,7-10H2,1-2H3
InChIKeyOFKBWKJZWDNUCV-UHFFFAOYSA-N
XLogP1.12
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-dioxan-2-yl)-N-ethyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115824369
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105007530
N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757032
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105007618
[2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249700
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
CID 80622599
N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 105007607
2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753334
1-(furan-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750479
1-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
CID 79750805
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine
CID 79750551
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 79750179

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine (CID 115824368) is 1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine is CNC(Cc1nc2ccccc2n1C)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine?
The InChIKey is OFKBWKJZWDNUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-16-12(14-10-19-7-8-20-14)9-15-17-11-5-3-4-6-13(11)18(15)2/h3-6,12,14,16H,7-10H2,1-2H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine?
1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine has a molecular weight of 275.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 115824368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).