2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine

C12H14F3N3 — CID 79798998

IUPAC2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
SMILESCc1cc2nc(C(C)(N)C(F)(F)F)[nH]c2cc1C
InChIInChI=1S/C12H14F3N3/c1-6-4-8-9(5-7(6)2)18-10(17-8)11(3,16)12(13,14)15/h4-5H,16H2,1-3H3,(H,17,18)
InChIKeyQMRWPPSGFGHAPW-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.92
Rot. Bonds1

About 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine

2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine (PubChem CID 79798998) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
PubChem CID79798998
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
SMILESCc1cc2nc(C(C)(N)C(F)(F)F)[nH]c2cc1C
InChIInChI=1S/C12H14F3N3/c1-6-4-8-9(5-7(6)2)18-10(17-8)11(3,16)12(13,14)15/h4-5H,16H2,1-3H3,(H,17,18)
InChIKeyQMRWPPSGFGHAPW-UHFFFAOYSA-N
XLogP2.92
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine (CID 79798998) is 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine is Cc1cc2nc(C(C)(N)C(F)(F)F)[nH]c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is QMRWPPSGFGHAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c1-6-4-8-9(5-7(6)2)18-10(17-8)11(3,16)12(13,14)15/h4-5H,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 257.26 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 79798998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).