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

C14H10F3N3 — CID 104721024

IUPAC[2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(-c3ccc(F)c(F)c3F)nc12
InChIInChI=1S/C14H10F3N3/c15-9-5-4-8(11(16)12(9)17)14-19-10-3-1-2-7(6-18)13(10)20-14/h1-5H,6,18H2,(H,19,20)
InChIKeyUTCAUJBAKZQRSA-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.11
Rot. Bonds2

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

[2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 104721024) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is [2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine
PubChem CID104721024
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name[2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(-c3ccc(F)c(F)c3F)nc12
InChIInChI=1S/C14H10F3N3/c15-9-5-4-8(11(16)12(9)17)14-19-10-3-1-2-7(6-18)13(10)20-14/h1-5H,6,18H2,(H,19,20)
InChIKeyUTCAUJBAKZQRSA-UHFFFAOYSA-N
XLogP3.11
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721233
[2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721059
2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548
[2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 107994630
[2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721162
[2-(furan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721099
[2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine
CID 104721137
2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320
[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721321
[2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721029
[2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721322
[2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721055

Frequently Asked Questions

What is the IUPAC name of [2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine (CID 104721024) is [2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine is NCc1cccc2[nH]c(-c3ccc(F)c(F)c3F)nc12.
What is the InChIKey of [2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is UTCAUJBAKZQRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c15-9-5-4-8(11(16)12(9)17)14-19-10-3-1-2-7(6-18)13(10)20-14/h1-5H,6,18H2,(H,19,20).
What are the key properties of [2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine?
[2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine has a molecular weight of 277.25 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).