1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine

C11H13F2N3 — CID 83857791

IUPAC1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C11H13F2N3/c1-11(2,14)5-8-15-7-4-3-6(12)9(13)10(7)16-8/h3-4H,5,14H2,1-2H3,(H,15,16)
InChIKeyKMPHPRHORKABEL-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.12
Rot. Bonds2

About 1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine

1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine (PubChem CID 83857791) has the molecular formula C11H13F2N3 and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine
PubChem CID83857791
Molecular FormulaC11H13F2N3
Molecular Weight225.24 g/mol
Exact Mass225.11
IUPAC Name1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C11H13F2N3/c1-11(2,14)5-8-15-7-4-3-6(12)9(13)10(7)16-8/h3-4H,5,14H2,1-2H3,(H,15,16)
InChIKeyKMPHPRHORKABEL-UHFFFAOYSA-N
XLogP2.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine (CID 83857791) is 1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1nc2c(F)c(F)ccc2[nH]1.
What is the InChIKey of 1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine?
The InChIKey is KMPHPRHORKABEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3/c1-11(2,14)5-8-15-7-4-3-6(12)9(13)10(7)16-8/h3-4H,5,14H2,1-2H3,(H,15,16).
What are the key properties of 1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine?
1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine has a molecular weight of 225.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 83857791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).