5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one

C10H13N3O — CID 757168

IUPAC5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CN)ccc21
InChIInChI=1S/C10H13N3O/c1-12-8-4-3-7(6-11)5-9(8)13(2)10(12)14/h3-5H,6,11H2,1-2H3
InChIKeyGDVGETHSXBLPHM-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.34
Rot. Bonds1

About 5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one

5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one (PubChem CID 757168) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one
PubChem CID757168
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CN)ccc21
InChIInChI=1S/C10H13N3O/c1-12-8-4-3-7(6-11)5-9(8)13(2)10(12)14/h3-5H,6,11H2,1-2H3
InChIKeyGDVGETHSXBLPHM-UHFFFAOYSA-N
XLogP0.34
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one (CID 757168) is 5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(CN)ccc21.
What is the InChIKey of 5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one?
The InChIKey is GDVGETHSXBLPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-12-8-4-3-7(6-11)5-9(8)13(2)10(12)14/h3-5H,6,11H2,1-2H3.
What are the key properties of 5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one?
5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 757168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).