1-[4-amino-2-(ethoxymethyl)benzo[g]benzimidazol-1-yl]-2-methylpropan-2-ol

C18H23N3O2 — CID 88980193

IUPAC1-[4-amino-2-(ethoxymethyl)benzo[g]benzimidazol-1-yl]-2-methylpropan-2-ol
SMILESCCOCc1nc2c(N)cc3ccccc3c2n1CC(C)(C)O
InChIInChI=1S/C18H23N3O2/c1-4-23-10-15-20-16-14(19)9-12-7-5-6-8-13(12)17(16)21(15)11-18(2,3)22/h5-9,22H,4,10-11,19H2,1-3H3
InChIKeySSIDNPWKOYBFDF-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.08
Rot. Bonds5

About 1-[4-amino-2-(ethoxymethyl)benzo[g]benzimidazol-1-yl]-2-methylpropan-2-ol

1-[4-amino-2-(ethoxymethyl)benzo[g]benzimidazol-1-yl]-2-methylpropan-2-ol (PubChem CID 88980193) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[4-amino-2-(ethoxymethyl)benzo[g]benzimidazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-amino-2-(ethoxymethyl)benzo[g]benzimidazol-1-yl]-2-methylpropan-2-ol
PubChem CID88980193
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[4-amino-2-(ethoxymethyl)benzo[g]benzimidazol-1-yl]-2-methylpropan-2-ol
SMILESCCOCc1nc2c(N)cc3ccccc3c2n1CC(C)(C)O
InChIInChI=1S/C18H23N3O2/c1-4-23-10-15-20-16-14(19)9-12-7-5-6-8-13(12)17(16)21(15)11-18(2,3)22/h5-9,22H,4,10-11,19H2,1-3H3
InChIKeySSIDNPWKOYBFDF-UHFFFAOYSA-N
XLogP3.08
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(ethoxymethyl)benzo[g]benzimidazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-amino-2-(ethoxymethyl)benzo[g]benzimidazol-1-yl]-2-methylpropan-2-ol (CID 88980193) is 1-[4-amino-2-(ethoxymethyl)benzo[g]benzimidazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-amino-2-(ethoxymethyl)benzo[g]benzimidazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-amino-2-(ethoxymethyl)benzo[g]benzimidazol-1-yl]-2-methylpropan-2-ol is CCOCc1nc2c(N)cc3ccccc3c2n1CC(C)(C)O.
What is the InChIKey of 1-[4-amino-2-(ethoxymethyl)benzo[g]benzimidazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is SSIDNPWKOYBFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-23-10-15-20-16-14(19)9-12-7-5-6-8-13(12)17(16)21(15)11-18(2,3)22/h5-9,22H,4,10-11,19H2,1-3H3.
What are the key properties of 1-[4-amino-2-(ethoxymethyl)benzo[g]benzimidazol-1-yl]-2-methylpropan-2-ol?
1-[4-amino-2-(ethoxymethyl)benzo[g]benzimidazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 313.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(ethoxymethyl)benzo[g]benzimidazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 88980193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).