[2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine

C14H21N3O — CID 104721481

IUPAC[2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine
SMILESCCOCCCc1nc2c(CN)cccc2n1C
InChIInChI=1S/C14H21N3O/c1-3-18-9-5-8-13-16-14-11(10-15)6-4-7-12(14)17(13)2/h4,6-7H,3,5,8-10,15H2,1-2H3
InChIKeyVYJPVLJFRGFESZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.00
Rot. Bonds6

About [2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine

[2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine (PubChem CID 104721481) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine
PubChem CID104721481
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine
SMILESCCOCCCc1nc2c(CN)cccc2n1C
InChIInChI=1S/C14H21N3O/c1-3-18-9-5-8-13-16-14-11(10-15)6-4-7-12(14)17(13)2/h4,6-7H,3,5,8-10,15H2,1-2H3
InChIKeyVYJPVLJFRGFESZ-UHFFFAOYSA-N
XLogP2.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine
CID 104721579
[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104721498
[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine
CID 104721374
[2-(2-methoxy-2-methylpropyl)-1-methylbenzimidazol-4-yl]methanamine
CID 103022652
[1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine
CID 104721634
(1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine
CID 113445267
azane;2,4-diethyl-1-methylbenzimidazole
CID 69090242
[2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine
CID 104721561
2-dodecyl-1,4-dimethylbenzimidazole
CID 22734767
[1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine
CID 104721357
(2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine
CID 104721457
2-(2-aminoethyl)-1-methylbenzimidazole-4-carboxylic acid
CID 84786616

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine?
The IUPAC name of [2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine (CID 104721481) is [2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine is CCOCCCc1nc2c(CN)cccc2n1C.
What is the InChIKey of [2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine?
The InChIKey is VYJPVLJFRGFESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-18-9-5-8-13-16-14-11(10-15)6-4-7-12(14)17(13)2/h4,6-7H,3,5,8-10,15H2,1-2H3.
What are the key properties of [2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine?
[2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine has a molecular weight of 247.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).