2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C16H22N4O3 — CID 4877945

IUPAC2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(NCCO)nc2ccccc21)NCC1CCCO1
InChIInChI=1S/C16H22N4O3/c21-8-7-17-16-19-13-5-1-2-6-14(13)20(16)11-15(22)18-10-12-4-3-9-23-12/h1-2,5-6,12,21H,3-4,7-11H2,(H,17,19)(H,18,22)
InChIKeyLKPBAAYEESTZDX-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.74
Rot. Bonds7

About 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 4877945) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID4877945
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(NCCO)nc2ccccc21)NCC1CCCO1
InChIInChI=1S/C16H22N4O3/c21-8-7-17-16-19-13-5-1-2-6-14(13)20(16)11-15(22)18-10-12-4-3-9-23-12/h1-2,5-6,12,21H,3-4,7-11H2,(H,17,19)(H,18,22)
InChIKeyLKPBAAYEESTZDX-UHFFFAOYSA-N
XLogP0.74
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 4877945) is 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(Cn1c(NCCO)nc2ccccc21)NCC1CCCO1.
What is the InChIKey of 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is LKPBAAYEESTZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c21-8-7-17-16-19-13-5-1-2-6-14(13)20(16)11-15(22)18-10-12-4-3-9-23-12/h1-2,5-6,12,21H,3-4,7-11H2,(H,17,19)(H,18,22).
What are the key properties of 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 318.38 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 4877945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).