2-(2-ethoxyethyl)-3H-benzimidazol-5-amine

C11H15N3O — CID 62589728

IUPAC2-(2-ethoxyethyl)-3H-benzimidazol-5-amine
SMILESCCOCCc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C11H15N3O/c1-2-15-6-5-11-13-9-4-3-8(12)7-10(9)14-11/h3-4,7H,2,5-6,12H2,1H3,(H,13,14)
InChIKeyAPFBEXWGTBCIQC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.72
Rot. Bonds4

About 2-(2-ethoxyethyl)-3H-benzimidazol-5-amine

2-(2-ethoxyethyl)-3H-benzimidazol-5-amine (PubChem CID 62589728) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-3H-benzimidazol-5-amine
PubChem CID62589728
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(2-ethoxyethyl)-3H-benzimidazol-5-amine
SMILESCCOCCc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C11H15N3O/c1-2-15-6-5-11-13-9-4-3-8(12)7-10(9)14-11/h3-4,7H,2,5-6,12H2,1H3,(H,13,14)
InChIKeyAPFBEXWGTBCIQC-UHFFFAOYSA-N
XLogP1.72
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-3H-benzimidazol-5-amine
CID 23301932
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-N-(2-ethoxyethyl)-2-N-methyl-3H-benzimidazole-2,5-diamine
CID 81059763
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134
2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine
CID 43513808
6-bromo-2-(2-propoxyethyl)-1H-benzimidazole
CID 64723125
4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
CID 45156250
2-(2-butan-2-ylsulfanylethyl)-3H-benzimidazol-5-amine
CID 43513849
2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine
CID 112602881
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63693003
2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine
CID 4080442
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991418

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(2-ethoxyethyl)-3H-benzimidazol-5-amine (CID 62589728) is 2-(2-ethoxyethyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(2-ethoxyethyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(2-ethoxyethyl)-3H-benzimidazol-5-amine is CCOCCc1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-(2-ethoxyethyl)-3H-benzimidazol-5-amine?
The InChIKey is APFBEXWGTBCIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-15-6-5-11-13-9-4-3-8(12)7-10(9)14-11/h3-4,7H,2,5-6,12H2,1H3,(H,13,14).
What are the key properties of 2-(2-ethoxyethyl)-3H-benzimidazol-5-amine?
2-(2-ethoxyethyl)-3H-benzimidazol-5-amine has a molecular weight of 205.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 62589728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).