2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine

C15H21N3O — CID 55080127

IUPAC2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1CCC1CCCO1
InChIInChI=1S/C15H21N3O/c1-2-15-17-13-10-11(16)5-6-14(13)18(15)8-7-12-4-3-9-19-12/h5-6,10,12H,2-4,7-9,16H2,1H3
InChIKeyONUVVRXWAZNKGN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.75
Rot. Bonds4

About 2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine

2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine (PubChem CID 55080127) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine
PubChem CID55080127
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1CCC1CCCO1
InChIInChI=1S/C15H21N3O/c1-2-15-17-13-10-11(16)5-6-14(13)18(15)8-7-12-4-3-9-19-12/h5-6,10,12H,2-4,7-9,16H2,1H3
InChIKeyONUVVRXWAZNKGN-UHFFFAOYSA-N
XLogP2.75
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole
CID 116626992
2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507566
1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502056
2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine
CID 63498106
[1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine
CID 65159867
2-[2-(oxolan-2-yl)ethyl]-1,3-benzoxazol-5-amine
CID 65155627
4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
CID 62508369
1-ethyl-2-[2-(oxolan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 65159499
2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 61034574
2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine
CID 106408016
3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide
CID 62506748
[1-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]cyclopentyl]methanol
CID 115363212

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine?
The IUPAC name of 2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine (CID 55080127) is 2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine?
The canonical SMILES for 2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine is CCc1nc2cc(N)ccc2n1CCC1CCCO1.
What is the InChIKey of 2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine?
The InChIKey is ONUVVRXWAZNKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-15-17-13-10-11(16)5-6-14(13)18(15)8-7-12-4-3-9-19-12/h5-6,10,12H,2-4,7-9,16H2,1H3.
What are the key properties of 2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine?
2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine has a molecular weight of 259.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine is sourced from PubChem (CID 55080127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).