2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-ol

C8H12N2O — CID 82417110

IUPAC2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-ol
SMILESCc1nc2c([nH]1)CC(O)CC2
InChIInChI=1S/C8H12N2O/c1-5-9-7-3-2-6(11)4-8(7)10-5/h6,11H,2-4H2,1H3,(H,9,10)
InChIKeyXTTARHVPODFWRD-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.57
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-ol

2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-ol (PubChem CID 82417110) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-ol
PubChem CID82417110
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-ol
SMILESCc1nc2c([nH]1)CC(O)CC2
InChIInChI=1S/C8H12N2O/c1-5-9-7-3-2-6(11)4-8(7)10-5/h6,11H,2-4H2,1H3,(H,9,10)
InChIKeyXTTARHVPODFWRD-UHFFFAOYSA-N
XLogP0.57
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-ol?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-ol (CID 82417110) is 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-ol?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-ol is Cc1nc2c([nH]1)CC(O)CC2.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-ol?
The InChIKey is XTTARHVPODFWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-9-7-3-2-6(11)4-8(7)10-5/h6,11H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-ol?
2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-ol has a molecular weight of 152.20 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-ol is sourced from PubChem (CID 82417110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).