4-(1-tert-butylbenzimidazol-2-yl)-N-ethyloxolan-3-amine

C17H25N3O — CID 66248043

IUPAC4-(1-tert-butylbenzimidazol-2-yl)-N-ethyloxolan-3-amine
SMILESCCNC1COCC1c1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C17H25N3O/c1-5-18-14-11-21-10-12(14)16-19-13-8-6-7-9-15(13)20(16)17(2,3)4/h6-9,12,14,18H,5,10-11H2,1-4H3
InChIKeyXSGQRUHFTDBAQD-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.88
Rot. Bonds3

About 4-(1-tert-butylbenzimidazol-2-yl)-N-ethyloxolan-3-amine

4-(1-tert-butylbenzimidazol-2-yl)-N-ethyloxolan-3-amine (PubChem CID 66248043) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-(1-tert-butylbenzimidazol-2-yl)-N-ethyloxolan-3-amine.

Molecular Properties

Compound Name4-(1-tert-butylbenzimidazol-2-yl)-N-ethyloxolan-3-amine
PubChem CID66248043
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-(1-tert-butylbenzimidazol-2-yl)-N-ethyloxolan-3-amine
SMILESCCNC1COCC1c1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C17H25N3O/c1-5-18-14-11-21-10-12(14)16-19-13-8-6-7-9-15(13)20(16)17(2,3)4/h6-9,12,14,18H,5,10-11H2,1-4H3
InChIKeyXSGQRUHFTDBAQD-UHFFFAOYSA-N
XLogP2.88
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylbenzimidazol-2-yl)-N-ethyloxolan-3-amine?
The IUPAC name of 4-(1-tert-butylbenzimidazol-2-yl)-N-ethyloxolan-3-amine (CID 66248043) is 4-(1-tert-butylbenzimidazol-2-yl)-N-ethyloxolan-3-amine.
What is the SMILES notation for 4-(1-tert-butylbenzimidazol-2-yl)-N-ethyloxolan-3-amine?
The canonical SMILES for 4-(1-tert-butylbenzimidazol-2-yl)-N-ethyloxolan-3-amine is CCNC1COCC1c1nc2ccccc2n1C(C)(C)C.
What is the InChIKey of 4-(1-tert-butylbenzimidazol-2-yl)-N-ethyloxolan-3-amine?
The InChIKey is XSGQRUHFTDBAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-18-14-11-21-10-12(14)16-19-13-8-6-7-9-15(13)20(16)17(2,3)4/h6-9,12,14,18H,5,10-11H2,1-4H3.
What are the key properties of 4-(1-tert-butylbenzimidazol-2-yl)-N-ethyloxolan-3-amine?
4-(1-tert-butylbenzimidazol-2-yl)-N-ethyloxolan-3-amine has a molecular weight of 287.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylbenzimidazol-2-yl)-N-ethyloxolan-3-amine is sourced from PubChem (CID 66248043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).