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

C8H9N3O — CID 1154237

IUPAC5-(aminomethyl)-1,3-dihydrobenzimidazol-2-one
SMILESNCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C8H9N3O/c9-4-5-1-2-6-7(3-5)11-8(12)10-6/h1-3H,4,9H2,(H2,10,11,12)
InChIKeyYNXIDSJGHTXVPW-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.31
Rot. Bonds1

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

5-(aminomethyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 1154237) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-(aminomethyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID1154237
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5-(aminomethyl)-1,3-dihydrobenzimidazol-2-one
SMILESNCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C8H9N3O/c9-4-5-1-2-6-7(3-5)11-8(12)10-6/h1-3H,4,9H2,(H2,10,11,12)
InChIKeyYNXIDSJGHTXVPW-UHFFFAOYSA-N
XLogP0.31
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(aminomethyl)-1,3-dihydrobenzimidazol-2-one (CID 1154237) is 5-(aminomethyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(aminomethyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(aminomethyl)-1,3-dihydrobenzimidazol-2-one is NCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(aminomethyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YNXIDSJGHTXVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-4-5-1-2-6-7(3-5)11-8(12)10-6/h1-3H,4,9H2,(H2,10,11,12).
What are the key properties of 5-(aminomethyl)-1,3-dihydrobenzimidazol-2-one?
5-(aminomethyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 1154237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).