2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine

C16H24N4O — CID 62507078

IUPAC2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1C(C)CN1CCOCC1
InChIInChI=1S/C16H24N4O/c1-3-16-18-14-10-13(17)4-5-15(14)20(16)12(2)11-19-6-8-21-9-7-19/h4-5,10,12H,3,6-9,11,17H2,1-2H3
InChIKeyPMZYEMHRAVNHBX-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.07
Rot. Bonds4

About 2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine

2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine (PubChem CID 62507078) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine
PubChem CID62507078
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1C(C)CN1CCOCC1
InChIInChI=1S/C16H24N4O/c1-3-16-18-14-10-13(17)4-5-15(14)20(16)12(2)11-19-6-8-21-9-7-19/h4-5,10,12H,3,6-9,11,17H2,1-2H3
InChIKeyPMZYEMHRAVNHBX-UHFFFAOYSA-N
XLogP2.07
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
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 2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine?
The IUPAC name of 2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine (CID 62507078) is 2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine?
The canonical SMILES for 2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine is CCc1nc2cc(N)ccc2n1C(C)CN1CCOCC1.
What is the InChIKey of 2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine?
The InChIKey is PMZYEMHRAVNHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-16-18-14-10-13(17)4-5-15(14)20(16)12(2)11-19-6-8-21-9-7-19/h4-5,10,12H,3,6-9,11,17H2,1-2H3.
What are the key properties of 2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine?
2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine has a molecular weight of 288.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine is sourced from PubChem (CID 62507078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).