5-(aminomethyl)-1,3,6-trimethylbenzimidazol-2-one

C11H15N3O — CID 177145852

IUPAC5-(aminomethyl)-1,3,6-trimethylbenzimidazol-2-one
SMILESCc1cc2c(cc1CN)n(C)c(=O)n2C
InChIInChI=1S/C11H15N3O/c1-7-4-9-10(5-8(7)6-12)14(3)11(15)13(9)2/h4-5H,6,12H2,1-3H3
InChIKeySSZJZWPRCQKEFE-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.64
Rot. Bonds1

About 5-(aminomethyl)-1,3,6-trimethylbenzimidazol-2-one

5-(aminomethyl)-1,3,6-trimethylbenzimidazol-2-one (PubChem CID 177145852) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(aminomethyl)-1,3,6-trimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1,3,6-trimethylbenzimidazol-2-one
PubChem CID177145852
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-(aminomethyl)-1,3,6-trimethylbenzimidazol-2-one
SMILESCc1cc2c(cc1CN)n(C)c(=O)n2C
InChIInChI=1S/C11H15N3O/c1-7-4-9-10(5-8(7)6-12)14(3)11(15)13(9)2/h4-5H,6,12H2,1-3H3
InChIKeySSZJZWPRCQKEFE-UHFFFAOYSA-N
XLogP0.64
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-1,3,6-trimethylbenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1,3,6-trimethylbenzimidazol-2-one?
The IUPAC name of 5-(aminomethyl)-1,3,6-trimethylbenzimidazol-2-one (CID 177145852) is 5-(aminomethyl)-1,3,6-trimethylbenzimidazol-2-one.
What is the SMILES notation for 5-(aminomethyl)-1,3,6-trimethylbenzimidazol-2-one?
The canonical SMILES for 5-(aminomethyl)-1,3,6-trimethylbenzimidazol-2-one is Cc1cc2c(cc1CN)n(C)c(=O)n2C.
What is the InChIKey of 5-(aminomethyl)-1,3,6-trimethylbenzimidazol-2-one?
The InChIKey is SSZJZWPRCQKEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-4-9-10(5-8(7)6-12)14(3)11(15)13(9)2/h4-5H,6,12H2,1-3H3.
What are the key properties of 5-(aminomethyl)-1,3,6-trimethylbenzimidazol-2-one?
5-(aminomethyl)-1,3,6-trimethylbenzimidazol-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1,3,6-trimethylbenzimidazol-2-one is sourced from PubChem (CID 177145852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).