4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole

C12H14F2N2O — CID 81463285

IUPAC4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole
SMILESCOCC(C)Cc1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C12H14F2N2O/c1-7(6-17-2)3-11-15-10-5-8(13)4-9(14)12(10)16-11/h4-5,7H,3,6H2,1-2H3,(H,15,16)
InChIKeyCDHNLXQOWOEWDZ-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.67
Rot. Bonds4

About 4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole

4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole (PubChem CID 81463285) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole
PubChem CID81463285
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole
SMILESCOCC(C)Cc1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C12H14F2N2O/c1-7(6-17-2)3-11-15-10-5-8(13)4-9(14)12(10)16-11/h4-5,7H,3,6H2,1-2H3,(H,15,16)
InChIKeyCDHNLXQOWOEWDZ-UHFFFAOYSA-N
XLogP2.67
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole?
The IUPAC name of 4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole (CID 81463285) is 4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole.
What is the SMILES notation for 4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole?
The canonical SMILES for 4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole is COCC(C)Cc1nc2c(F)cc(F)cc2[nH]1.
What is the InChIKey of 4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole?
The InChIKey is CDHNLXQOWOEWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-7(6-17-2)3-11-15-10-5-8(13)4-9(14)12(10)16-11/h4-5,7H,3,6H2,1-2H3,(H,15,16).
What are the key properties of 4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole?
4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole has a molecular weight of 240.25 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-(3-methoxy-2-methylpropyl)-1H-benzimidazole is sourced from PubChem (CID 81463285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).