1,3,6-trimethyl-5H-imidazo[4,5-f]benzimidazol-2-one

C11H12N4O — CID 817806

IUPAC1,3,6-trimethyl-5H-imidazo[4,5-f]benzimidazol-2-one
SMILESCc1nc2cc3c(cc2[nH]1)n(C)c(=O)n3C
InChIInChI=1S/C11H12N4O/c1-6-12-7-4-9-10(5-8(7)13-6)15(3)11(16)14(9)2/h4-5H,1-3H3,(H,12,13)
InChIKeyUZMAEWSDWNXUSB-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.06
Rot. Bonds

About 1,3,6-trimethyl-5H-imidazo[4,5-f]benzimidazol-2-one

1,3,6-trimethyl-5H-imidazo[4,5-f]benzimidazol-2-one (PubChem CID 817806) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1,3,6-trimethyl-5H-imidazo[4,5-f]benzimidazol-2-one.

Molecular Properties

Compound Name1,3,6-trimethyl-5H-imidazo[4,5-f]benzimidazol-2-one
PubChem CID817806
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1,3,6-trimethyl-5H-imidazo[4,5-f]benzimidazol-2-one
SMILESCc1nc2cc3c(cc2[nH]1)n(C)c(=O)n3C
InChIInChI=1S/C11H12N4O/c1-6-12-7-4-9-10(5-8(7)13-6)15(3)11(16)14(9)2/h4-5H,1-3H3,(H,12,13)
InChIKeyUZMAEWSDWNXUSB-UHFFFAOYSA-N
XLogP1.06
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-5H-imidazo[4,5-f]benzimidazol-2-one?
The IUPAC name of 1,3,6-trimethyl-5H-imidazo[4,5-f]benzimidazol-2-one (CID 817806) is 1,3,6-trimethyl-5H-imidazo[4,5-f]benzimidazol-2-one.
What is the SMILES notation for 1,3,6-trimethyl-5H-imidazo[4,5-f]benzimidazol-2-one?
The canonical SMILES for 1,3,6-trimethyl-5H-imidazo[4,5-f]benzimidazol-2-one is Cc1nc2cc3c(cc2[nH]1)n(C)c(=O)n3C.
What is the InChIKey of 1,3,6-trimethyl-5H-imidazo[4,5-f]benzimidazol-2-one?
The InChIKey is UZMAEWSDWNXUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-6-12-7-4-9-10(5-8(7)13-6)15(3)11(16)14(9)2/h4-5H,1-3H3,(H,12,13).
What are the key properties of 1,3,6-trimethyl-5H-imidazo[4,5-f]benzimidazol-2-one?
1,3,6-trimethyl-5H-imidazo[4,5-f]benzimidazol-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-5H-imidazo[4,5-f]benzimidazol-2-one is sourced from PubChem (CID 817806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).