1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine

C16H17N3O2 — CID 2984464

IUPAC1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine
SMILESCOc1ccccc1OCCn1c(N)nc2ccccc21
InChIInChI=1S/C16H17N3O2/c1-20-14-8-4-5-9-15(14)21-11-10-19-13-7-3-2-6-12(13)18-16(19)17/h2-9H,10-11H2,1H3,(H2,17,18)
InChIKeyFGFCLYKICHXLMH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.71
Rot. Bonds5

About 1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine

1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine (PubChem CID 2984464) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine
PubChem CID2984464
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine
SMILESCOc1ccccc1OCCn1c(N)nc2ccccc21
InChIInChI=1S/C16H17N3O2/c1-20-14-8-4-5-9-15(14)21-11-10-19-13-7-3-2-6-12(13)18-16(19)17/h2-9H,10-11H2,1H3,(H2,17,18)
InChIKeyFGFCLYKICHXLMH-UHFFFAOYSA-N
XLogP2.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-2-ol
CID 17027789
[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995122
1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997731
2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 17001033
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000783
3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 16995480
1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763114
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531
1-[4-(2-methoxyphenoxy)butyl]-2-propan-2-ylbenzimidazole
CID 16996559
2-[(1S)-1-(azepan-1-yl)ethyl]-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 96571436
4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 113450500
1-(methoxymethyl)benzimidazol-2-amine
CID 12808407

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine (CID 2984464) is 1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine is COc1ccccc1OCCn1c(N)nc2ccccc21.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine?
The InChIKey is FGFCLYKICHXLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-20-14-8-4-5-9-15(14)21-11-10-19-13-7-3-2-6-12(13)18-16(19)17/h2-9H,10-11H2,1H3,(H2,17,18).
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine?
1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine has a molecular weight of 283.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 2984464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).