2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine

C16H17N3O — CID 28752967

IUPAC2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine
SMILESNCCn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C16H17N3O/c17-10-11-19-15-9-5-4-8-14(15)18-16(19)12-20-13-6-2-1-3-7-13/h1-9H,10-12,17H2
InChIKeyOJQFTMUWSCULFI-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.57
Rot. Bonds5

About 2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine

2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine (PubChem CID 28752967) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine
PubChem CID28752967
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine
SMILESNCCn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C16H17N3O/c17-10-11-19-15-9-5-4-8-14(15)18-16(19)12-20-13-6-2-1-3-7-13/h1-9H,10-12,17H2
InChIKeyOJQFTMUWSCULFI-UHFFFAOYSA-N
XLogP2.57
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(phenoxymethyl)benzimidazol-1-yl]butan-1-amine
CID 82144770
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 3326466
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]butan-1-amine
CID 94747495
2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole
CID 112828549
4-[2-(phenoxymethyl)benzimidazol-1-yl]butanenitrile
CID 82150424
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole
CID 2992200
1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole
CID 139007627
1-(4-naphthalen-2-yloxybutyl)-2-(phenoxymethyl)benzimidazole
CID 18879280
1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998302

Frequently Asked Questions

What is the IUPAC name of 2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine (CID 28752967) is 2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine is NCCn1c(COc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine?
The InChIKey is OJQFTMUWSCULFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-10-11-19-15-9-5-4-8-14(15)18-16(19)12-20-13-6-2-1-3-7-13/h1-9H,10-12,17H2.
What are the key properties of 2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine?
2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine has a molecular weight of 267.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine is sourced from PubChem (CID 28752967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).