3-ethyl-6-methoxybenzimidazol-5-amine

C10H13N3O — CID 91671629

IUPAC3-ethyl-6-methoxybenzimidazol-5-amine
SMILESCCn1cnc2cc(OC)c(N)cc21
InChIInChI=1S/C10H13N3O/c1-3-13-6-12-8-5-10(14-2)7(11)4-9(8)13/h4-6H,3,11H2,1-2H3
InChIKeyXPVHAQBFSSETPD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.65
Rot. Bonds2

About 3-ethyl-6-methoxybenzimidazol-5-amine

3-ethyl-6-methoxybenzimidazol-5-amine (PubChem CID 91671629) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-ethyl-6-methoxybenzimidazol-5-amine.

Molecular Properties

Compound Name3-ethyl-6-methoxybenzimidazol-5-amine
PubChem CID91671629
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-ethyl-6-methoxybenzimidazol-5-amine
SMILESCCn1cnc2cc(OC)c(N)cc21
InChIInChI=1S/C10H13N3O/c1-3-13-6-12-8-5-10(14-2)7(11)4-9(8)13/h4-6H,3,11H2,1-2H3
InChIKeyXPVHAQBFSSETPD-UHFFFAOYSA-N
XLogP1.65
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methoxybenzimidazol-5-amine?
The IUPAC name of 3-ethyl-6-methoxybenzimidazol-5-amine (CID 91671629) is 3-ethyl-6-methoxybenzimidazol-5-amine.
What is the SMILES notation for 3-ethyl-6-methoxybenzimidazol-5-amine?
The canonical SMILES for 3-ethyl-6-methoxybenzimidazol-5-amine is CCn1cnc2cc(OC)c(N)cc21.
What is the InChIKey of 3-ethyl-6-methoxybenzimidazol-5-amine?
The InChIKey is XPVHAQBFSSETPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-3-13-6-12-8-5-10(14-2)7(11)4-9(8)13/h4-6H,3,11H2,1-2H3.
What are the key properties of 3-ethyl-6-methoxybenzimidazol-5-amine?
3-ethyl-6-methoxybenzimidazol-5-amine has a molecular weight of 191.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methoxybenzimidazol-5-amine is sourced from PubChem (CID 91671629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).