[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine

C11H9F6N3 — CID 103311170

IUPAC[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(C(C(F)(F)F)C(F)(F)F)nc12
InChIInChI=1S/C11H9F6N3/c12-10(13,14)8(11(15,16)17)9-19-6-3-1-2-5(4-18)7(6)20-9/h1-3,8H,4,18H2,(H,19,20)
InChIKeyDJXYNXMXAXPSBS-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.23
Rot. Bonds2

About [2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine

[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 103311170) has the molecular formula C11H9F6N3 and a molecular weight of 297.20 g/mol. Its IUPAC name is [2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine
PubChem CID103311170
Molecular FormulaC11H9F6N3
Molecular Weight297.20 g/mol
Exact Mass297.07
IUPAC Name[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(C(C(F)(F)F)C(F)(F)F)nc12
InChIInChI=1S/C11H9F6N3/c12-10(13,14)8(11(15,16)17)9-19-6-3-1-2-5(4-18)7(6)20-9/h1-3,8H,4,18H2,(H,19,20)
InChIKeyDJXYNXMXAXPSBS-UHFFFAOYSA-N
XLogP3.23
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721226
[4-(aminomethyl)-1H-benzimidazol-2-yl]-phenylmethanol
CID 104721149
2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 103310108
[2-(propoxymethyl)-1H-benzimidazol-4-yl]methanamine
CID 107941841
[2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine
CID 104721312
[2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine
CID 114040741
[2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721059
2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 103310076
[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721233
[2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721264
[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721321
[2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 107994630

Frequently Asked Questions

What is the IUPAC name of [2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine (CID 103311170) is [2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine is NCc1cccc2[nH]c(C(C(F)(F)F)C(F)(F)F)nc12.
What is the InChIKey of [2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is DJXYNXMXAXPSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6N3/c12-10(13,14)8(11(15,16)17)9-19-6-3-1-2-5(4-18)7(6)20-9/h1-3,8H,4,18H2,(H,19,20).
What are the key properties of [2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine?
[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine has a molecular weight of 297.20 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 103311170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).