6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one

C12H14N4O3 — CID 110867639

IUPAC6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one
SMILESNc1ccc2c(c1)[nH]c(=O)n2C(=O)N1CCOCC1
InChIInChI=1S/C12H14N4O3/c13-8-1-2-10-9(7-8)14-11(17)16(10)12(18)15-3-5-19-6-4-15/h1-2,7H,3-6,13H2,(H,14,17)
InChIKeyCQHFTFSLJZHUKP-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.21
Rot. Bonds

About 6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one

6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one (PubChem CID 110867639) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one
PubChem CID110867639
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one
SMILESNc1ccc2c(c1)[nH]c(=O)n2C(=O)N1CCOCC1
InChIInChI=1S/C12H14N4O3/c13-8-1-2-10-9(7-8)14-11(17)16(10)12(18)15-3-5-19-6-4-15/h1-2,7H,3-6,13H2,(H,14,17)
InChIKeyCQHFTFSLJZHUKP-UHFFFAOYSA-N
XLogP0.21
TPSA93.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
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 6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one?
The IUPAC name of 6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one (CID 110867639) is 6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one?
The canonical SMILES for 6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one is Nc1ccc2c(c1)[nH]c(=O)n2C(=O)N1CCOCC1.
What is the InChIKey of 6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one?
The InChIKey is CQHFTFSLJZHUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c13-8-1-2-10-9(7-8)14-11(17)16(10)12(18)15-3-5-19-6-4-15/h1-2,7H,3-6,13H2,(H,14,17).
What are the key properties of 6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one?
6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one has a molecular weight of 262.27 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 110867639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).