1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-amine

C16H17N3O2 — CID 780983

IUPAC1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-amine
SMILESCOc1ccc(OCCn2c(N)nc3ccccc32)cc1
InChIInChI=1S/C16H17N3O2/c1-20-12-6-8-13(9-7-12)21-11-10-19-15-5-3-2-4-14(15)18-16(19)17/h2-9H,10-11H2,1H3,(H2,17,18)
InChIKeySWTGVGMUAVYHSO-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.71
Rot. Bonds5

About 1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-amine

1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-amine (PubChem CID 780983) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-amine
PubChem CID780983
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-amine
SMILESCOc1ccc(OCCn2c(N)nc3ccccc32)cc1
InChIInChI=1S/C16H17N3O2/c1-20-12-6-8-13(9-7-12)21-11-10-19-15-5-3-2-4-14(15)18-16(19)17/h2-9H,10-11H2,1H3,(H2,17,18)
InChIKeySWTGVGMUAVYHSO-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-amine?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-amine (CID 780983) is 1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-amine?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-amine is COc1ccc(OCCn2c(N)nc3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-amine?
The InChIKey is SWTGVGMUAVYHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-20-12-6-8-13(9-7-12)21-11-10-19-15-5-3-2-4-14(15)18-16(19)17/h2-9H,10-11H2,1H3,(H2,17,18).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-amine?
1-[2-(4-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-(4-methoxyphenoxy)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 780983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).