4-(ethylamino)benzimidazol-2-one

C9H9N3O — CID 140570567

IUPAC4-(ethylamino)benzimidazol-2-one
SMILESCCNc1cccc2c1=NC(=O)N=2
InChIInChI=1S/C9H9N3O/c1-2-10-6-4-3-5-7-8(6)12-9(13)11-7/h3-5,10H,2H2,1H3
InChIKeyIVOUSXPZFXJZNO-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.49
Rot. Bonds2

About 4-(ethylamino)benzimidazol-2-one

4-(ethylamino)benzimidazol-2-one (PubChem CID 140570567) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(ethylamino)benzimidazol-2-one.

Molecular Properties

Compound Name4-(ethylamino)benzimidazol-2-one
PubChem CID140570567
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-(ethylamino)benzimidazol-2-one
SMILESCCNc1cccc2c1=NC(=O)N=2
InChIInChI=1S/C9H9N3O/c1-2-10-6-4-3-5-7-8(6)12-9(13)11-7/h3-5,10H,2H2,1H3
InChIKeyIVOUSXPZFXJZNO-UHFFFAOYSA-N
XLogP0.49
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)benzimidazol-2-one?
The IUPAC name of 4-(ethylamino)benzimidazol-2-one (CID 140570567) is 4-(ethylamino)benzimidazol-2-one.
What is the SMILES notation for 4-(ethylamino)benzimidazol-2-one?
The canonical SMILES for 4-(ethylamino)benzimidazol-2-one is CCNc1cccc2c1=NC(=O)N=2.
What is the InChIKey of 4-(ethylamino)benzimidazol-2-one?
The InChIKey is IVOUSXPZFXJZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-2-10-6-4-3-5-7-8(6)12-9(13)11-7/h3-5,10H,2H2,1H3.
What are the key properties of 4-(ethylamino)benzimidazol-2-one?
4-(ethylamino)benzimidazol-2-one has a molecular weight of 175.19 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)benzimidazol-2-one is sourced from PubChem (CID 140570567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).