4-[1-(6,7-dihydro-1H-benzimidazol-2-yl)propan-2-yl]benzene-1,3-diol

C16H18N2O2 — CID 166717284

IUPAC4-[1-(6,7-dihydro-1H-benzimidazol-2-yl)propan-2-yl]benzene-1,3-diol
SMILESCC(Cc1nc2c([nH]1)CCC=C2)c1ccc(O)cc1O
InChIInChI=1S/C16H18N2O2/c1-10(12-7-6-11(19)9-15(12)20)8-16-17-13-4-2-3-5-14(13)18-16/h2,4,6-7,9-10,19-20H,3,5,8H2,1H3,(H,17,18)
InChIKeyQIZNMANOMPGCPC-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.13
Rot. Bonds3

About 4-[1-(6,7-dihydro-1H-benzimidazol-2-yl)propan-2-yl]benzene-1,3-diol

4-[1-(6,7-dihydro-1H-benzimidazol-2-yl)propan-2-yl]benzene-1,3-diol (PubChem CID 166717284) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[1-(6,7-dihydro-1H-benzimidazol-2-yl)propan-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(6,7-dihydro-1H-benzimidazol-2-yl)propan-2-yl]benzene-1,3-diol
PubChem CID166717284
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-[1-(6,7-dihydro-1H-benzimidazol-2-yl)propan-2-yl]benzene-1,3-diol
SMILESCC(Cc1nc2c([nH]1)CCC=C2)c1ccc(O)cc1O
InChIInChI=1S/C16H18N2O2/c1-10(12-7-6-11(19)9-15(12)20)8-16-17-13-4-2-3-5-14(13)18-16/h2,4,6-7,9-10,19-20H,3,5,8H2,1H3,(H,17,18)
InChIKeyQIZNMANOMPGCPC-UHFFFAOYSA-N
XLogP3.13
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6,7-dihydro-1H-benzimidazol-2-yl)propan-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[1-(6,7-dihydro-1H-benzimidazol-2-yl)propan-2-yl]benzene-1,3-diol (CID 166717284) is 4-[1-(6,7-dihydro-1H-benzimidazol-2-yl)propan-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(6,7-dihydro-1H-benzimidazol-2-yl)propan-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(6,7-dihydro-1H-benzimidazol-2-yl)propan-2-yl]benzene-1,3-diol is CC(Cc1nc2c([nH]1)CCC=C2)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-(6,7-dihydro-1H-benzimidazol-2-yl)propan-2-yl]benzene-1,3-diol?
The InChIKey is QIZNMANOMPGCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10(12-7-6-11(19)9-15(12)20)8-16-17-13-4-2-3-5-14(13)18-16/h2,4,6-7,9-10,19-20H,3,5,8H2,1H3,(H,17,18).
What are the key properties of 4-[1-(6,7-dihydro-1H-benzimidazol-2-yl)propan-2-yl]benzene-1,3-diol?
4-[1-(6,7-dihydro-1H-benzimidazol-2-yl)propan-2-yl]benzene-1,3-diol has a molecular weight of 270.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6,7-dihydro-1H-benzimidazol-2-yl)propan-2-yl]benzene-1,3-diol is sourced from PubChem (CID 166717284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).