1-amino-3,5-dimethylbenzimidazol-2-one

C9H11N3O — CID 112545294

IUPAC1-amino-3,5-dimethylbenzimidazol-2-one
SMILESCc1ccc2c(c1)n(C)c(=O)n2N
InChIInChI=1S/C9H11N3O/c1-6-3-4-7-8(5-6)11(2)9(13)12(7)10/h3-5H,10H2,1-2H3
InChIKeyWGSSEKRXIDXBCM-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.36
Rot. Bonds

About 1-amino-3,5-dimethylbenzimidazol-2-one

1-amino-3,5-dimethylbenzimidazol-2-one (PubChem CID 112545294) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-amino-3,5-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name1-amino-3,5-dimethylbenzimidazol-2-one
PubChem CID112545294
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-amino-3,5-dimethylbenzimidazol-2-one
SMILESCc1ccc2c(c1)n(C)c(=O)n2N
InChIInChI=1S/C9H11N3O/c1-6-3-4-7-8(5-6)11(2)9(13)12(7)10/h3-5H,10H2,1-2H3
InChIKeyWGSSEKRXIDXBCM-UHFFFAOYSA-N
XLogP0.36
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3,5-dimethylbenzimidazol-2-one?
The IUPAC name of 1-amino-3,5-dimethylbenzimidazol-2-one (CID 112545294) is 1-amino-3,5-dimethylbenzimidazol-2-one.
What is the SMILES notation for 1-amino-3,5-dimethylbenzimidazol-2-one?
The canonical SMILES for 1-amino-3,5-dimethylbenzimidazol-2-one is Cc1ccc2c(c1)n(C)c(=O)n2N.
What is the InChIKey of 1-amino-3,5-dimethylbenzimidazol-2-one?
The InChIKey is WGSSEKRXIDXBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-3-4-7-8(5-6)11(2)9(13)12(7)10/h3-5H,10H2,1-2H3.
What are the key properties of 1-amino-3,5-dimethylbenzimidazol-2-one?
1-amino-3,5-dimethylbenzimidazol-2-one has a molecular weight of 177.21 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,5-dimethylbenzimidazol-2-one is sourced from PubChem (CID 112545294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).