2-methyl-1,5,6,7-tetrahydrobenzimidazol-4-one

C8H10N2O — CID 30033301

IUPAC2-methyl-1,5,6,7-tetrahydrobenzimidazol-4-one
SMILESCc1nc2c([nH]1)CCCC2=O
InChIInChI=1S/C8H10N2O/c1-5-9-6-3-2-4-7(11)8(6)10-5/h2-4H2,1H3,(H,9,10)
InChIKeyUINXAHGOQZATSD-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.24
Rot. Bonds

About 2-methyl-1,5,6,7-tetrahydrobenzimidazol-4-one

2-methyl-1,5,6,7-tetrahydrobenzimidazol-4-one (PubChem CID 30033301) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-methyl-1,5,6,7-tetrahydrobenzimidazol-4-one.

Molecular Properties

Compound Name2-methyl-1,5,6,7-tetrahydrobenzimidazol-4-one
PubChem CID30033301
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-methyl-1,5,6,7-tetrahydrobenzimidazol-4-one
SMILESCc1nc2c([nH]1)CCCC2=O
InChIInChI=1S/C8H10N2O/c1-5-9-6-3-2-4-7(11)8(6)10-5/h2-4H2,1H3,(H,9,10)
InChIKeyUINXAHGOQZATSD-UHFFFAOYSA-N
XLogP1.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,5,6,7-tetrahydrobenzimidazol-4-one?
The IUPAC name of 2-methyl-1,5,6,7-tetrahydrobenzimidazol-4-one (CID 30033301) is 2-methyl-1,5,6,7-tetrahydrobenzimidazol-4-one.
What is the SMILES notation for 2-methyl-1,5,6,7-tetrahydrobenzimidazol-4-one?
The canonical SMILES for 2-methyl-1,5,6,7-tetrahydrobenzimidazol-4-one is Cc1nc2c([nH]1)CCCC2=O.
What is the InChIKey of 2-methyl-1,5,6,7-tetrahydrobenzimidazol-4-one?
The InChIKey is UINXAHGOQZATSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5-9-6-3-2-4-7(11)8(6)10-5/h2-4H2,1H3,(H,9,10).
What are the key properties of 2-methyl-1,5,6,7-tetrahydrobenzimidazol-4-one?
2-methyl-1,5,6,7-tetrahydrobenzimidazol-4-one has a molecular weight of 150.18 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,5,6,7-tetrahydrobenzimidazol-4-one is sourced from PubChem (CID 30033301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).