N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine

C12H14F3N3 — CID 79258066

IUPACN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1cc2nc(CNCC(F)(F)F)[nH]c2cc1C
InChIInChI=1S/C12H14F3N3/c1-7-3-9-10(4-8(7)2)18-11(17-9)5-16-6-12(13,14)15/h3-4,16H,5-6H2,1-2H3,(H,17,18)
InChIKeyFIBLDJRFAWWWIL-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.83
Rot. Bonds3

About N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine

N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 79258066) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID79258066
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC NameN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1cc2nc(CNCC(F)(F)F)[nH]c2cc1C
InChIInChI=1S/C12H14F3N3/c1-7-3-9-10(4-8(7)2)18-11(17-9)5-16-6-12(13,14)15/h3-4,16H,5-6H2,1-2H3,(H,17,18)
InChIKeyFIBLDJRFAWWWIL-UHFFFAOYSA-N
XLogP2.83
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine (CID 79258066) is N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine is Cc1cc2nc(CNCC(F)(F)F)[nH]c2cc1C.
What is the InChIKey of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is FIBLDJRFAWWWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c1-7-3-9-10(4-8(7)2)18-11(17-9)5-16-6-12(13,14)15/h3-4,16H,5-6H2,1-2H3,(H,17,18).
What are the key properties of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 257.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 79258066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).