2-propan-2-yl-5,6-dihydro-1H-benzimidazole

C10H14N2 — CID 129018981

IUPAC2-propan-2-yl-5,6-dihydro-1H-benzimidazole
SMILESCC(C)c1nc2c([nH]1)=CCCC=2
InChIInChI=1S/C10H14N2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h5-7H,3-4H2,1-2H3,(H,11,12)
InChIKeyPNEWMSBHWFIQDE-UHFFFAOYSA-N
MW162.24 g/mol
LogP0.89
Rot. Bonds1

About 2-propan-2-yl-5,6-dihydro-1H-benzimidazole

2-propan-2-yl-5,6-dihydro-1H-benzimidazole (PubChem CID 129018981) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-propan-2-yl-5,6-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name2-propan-2-yl-5,6-dihydro-1H-benzimidazole
PubChem CID129018981
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-propan-2-yl-5,6-dihydro-1H-benzimidazole
SMILESCC(C)c1nc2c([nH]1)=CCCC=2
InChIInChI=1S/C10H14N2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h5-7H,3-4H2,1-2H3,(H,11,12)
InChIKeyPNEWMSBHWFIQDE-UHFFFAOYSA-N
XLogP0.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6-dihydro-1H-benzimidazole?
The IUPAC name of 2-propan-2-yl-5,6-dihydro-1H-benzimidazole (CID 129018981) is 2-propan-2-yl-5,6-dihydro-1H-benzimidazole.
What is the SMILES notation for 2-propan-2-yl-5,6-dihydro-1H-benzimidazole?
The canonical SMILES for 2-propan-2-yl-5,6-dihydro-1H-benzimidazole is CC(C)c1nc2c([nH]1)=CCCC=2.
What is the InChIKey of 2-propan-2-yl-5,6-dihydro-1H-benzimidazole?
The InChIKey is PNEWMSBHWFIQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h5-7H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-propan-2-yl-5,6-dihydro-1H-benzimidazole?
2-propan-2-yl-5,6-dihydro-1H-benzimidazole has a molecular weight of 162.24 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6-dihydro-1H-benzimidazole is sourced from PubChem (CID 129018981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).