6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one

C10H13N3O — CID 65038062

IUPAC6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2cc(CN)ccc21
InChIInChI=1S/C10H13N3O/c1-2-13-9-4-3-7(6-11)5-8(9)12-10(13)14/h3-5H,2,6,11H2,1H3,(H,12,14)
InChIKeyGANHPEFKKJFSCM-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.81
Rot. Bonds2

About 6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one

6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one (PubChem CID 65038062) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one
PubChem CID65038062
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2cc(CN)ccc21
InChIInChI=1S/C10H13N3O/c1-2-13-9-4-3-7(6-11)5-8(9)12-10(13)14/h3-5H,2,6,11H2,1H3,(H,12,14)
InChIKeyGANHPEFKKJFSCM-UHFFFAOYSA-N
XLogP0.81
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one?
The IUPAC name of 6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one (CID 65038062) is 6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one is CCn1c(=O)[nH]c2cc(CN)ccc21.
What is the InChIKey of 6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one?
The InChIKey is GANHPEFKKJFSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-13-9-4-3-7(6-11)5-8(9)12-10(13)14/h3-5H,2,6,11H2,1H3,(H,12,14).
What are the key properties of 6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one?
6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one is sourced from PubChem (CID 65038062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).