3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen

C9H12N2O — CID 144928816

IUPAC3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen
SMILESCc1ccc2c(c1)[nH]c(=O)n2C.[H][H]
InChIInChI=1S/C9H10N2O.H2/c1-6-3-4-8-7(5-6)10-9(12)11(8)2;/h3-5H,1-2H3,(H,10,12);1H
InChIKeyYEARRCPWZWOYPQ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.42
Rot. Bonds

About 3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen

3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen (PubChem CID 144928816) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen.

Molecular Properties

Compound Name3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen
PubChem CID144928816
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen
SMILESCc1ccc2c(c1)[nH]c(=O)n2C.[H][H]
InChIInChI=1S/C9H10N2O.H2/c1-6-3-4-8-7(5-6)10-9(12)11(8)2;/h3-5H,1-2H3,(H,10,12);1H
InChIKeyYEARRCPWZWOYPQ-UHFFFAOYSA-N
XLogP1.42
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen?
The IUPAC name of 3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen (CID 144928816) is 3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen.
What is the SMILES notation for 3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen?
The canonical SMILES for 3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen is Cc1ccc2c(c1)[nH]c(=O)n2C.[H][H].
What is the InChIKey of 3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen?
The InChIKey is YEARRCPWZWOYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.H2/c1-6-3-4-8-7(5-6)10-9(12)11(8)2;/h3-5H,1-2H3,(H,10,12);1H.
What are the key properties of 3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen?
3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen has a molecular weight of 164.21 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen is sourced from PubChem (CID 144928816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).