3,6-dimethyl-5-(2-methylimidazol-1-yl)-1H-benzimidazol-2-one

C13H14N4O — CID 14751653

IUPAC3,6-dimethyl-5-(2-methylimidazol-1-yl)-1H-benzimidazol-2-one
SMILESCc1cc2[nH]c(=O)n(C)c2cc1-n1ccnc1C
InChIInChI=1S/C13H14N4O/c1-8-6-10-12(16(3)13(18)15-10)7-11(8)17-5-4-14-9(17)2/h4-7H,1-3H3,(H,15,18)
InChIKeyNXEXXCCMKXFGLC-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.67
Rot. Bonds1

About 3,6-dimethyl-5-(2-methylimidazol-1-yl)-1H-benzimidazol-2-one

3,6-dimethyl-5-(2-methylimidazol-1-yl)-1H-benzimidazol-2-one (PubChem CID 14751653) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 3,6-dimethyl-5-(2-methylimidazol-1-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3,6-dimethyl-5-(2-methylimidazol-1-yl)-1H-benzimidazol-2-one
PubChem CID14751653
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name3,6-dimethyl-5-(2-methylimidazol-1-yl)-1H-benzimidazol-2-one
SMILESCc1cc2[nH]c(=O)n(C)c2cc1-n1ccnc1C
InChIInChI=1S/C13H14N4O/c1-8-6-10-12(16(3)13(18)15-10)7-11(8)17-5-4-14-9(17)2/h4-7H,1-3H3,(H,15,18)
InChIKeyNXEXXCCMKXFGLC-UHFFFAOYSA-N
XLogP1.67
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-5-(2-methylimidazol-1-yl)-1H-benzimidazol-2-one?
The IUPAC name of 3,6-dimethyl-5-(2-methylimidazol-1-yl)-1H-benzimidazol-2-one (CID 14751653) is 3,6-dimethyl-5-(2-methylimidazol-1-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3,6-dimethyl-5-(2-methylimidazol-1-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 3,6-dimethyl-5-(2-methylimidazol-1-yl)-1H-benzimidazol-2-one is Cc1cc2[nH]c(=O)n(C)c2cc1-n1ccnc1C.
What is the InChIKey of 3,6-dimethyl-5-(2-methylimidazol-1-yl)-1H-benzimidazol-2-one?
The InChIKey is NXEXXCCMKXFGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-6-10-12(16(3)13(18)15-10)7-11(8)17-5-4-14-9(17)2/h4-7H,1-3H3,(H,15,18).
What are the key properties of 3,6-dimethyl-5-(2-methylimidazol-1-yl)-1H-benzimidazol-2-one?
3,6-dimethyl-5-(2-methylimidazol-1-yl)-1H-benzimidazol-2-one has a molecular weight of 242.28 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5-(2-methylimidazol-1-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 14751653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).