[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine

C14H11F2N3 — CID 104721233

IUPAC[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(-c3c(F)cccc3F)nc12
InChIInChI=1S/C14H11F2N3/c15-9-4-2-5-10(16)12(9)14-18-11-6-1-3-8(7-17)13(11)19-14/h1-6H,7,17H2,(H,18,19)
InChIKeyMQRHLALGTQOUMI-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.97
Rot. Bonds2

About [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine

[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 104721233) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
PubChem CID104721233
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(-c3c(F)cccc3F)nc12
InChIInChI=1S/C14H11F2N3/c15-9-4-2-5-10(16)12(9)14-18-11-6-1-3-8(7-17)13(11)19-14/h1-6H,7,17H2,(H,18,19)
InChIKeyMQRHLALGTQOUMI-UHFFFAOYSA-N
XLogP2.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721024
[2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721059
[2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 107994630
[2-(furan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721099
[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721321
[2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721322
[2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721162
[2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721055
2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]-6-methyl-1H-benzimidazole
CID 70101397
(2-isoquinolin-1-yl-1H-benzimidazol-4-yl)methanamine
CID 104721160
[2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721029
[2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721226

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine (CID 104721233) is [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine is NCc1cccc2[nH]c(-c3c(F)cccc3F)nc12.
What is the InChIKey of [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is MQRHLALGTQOUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c15-9-4-2-5-10(16)12(9)14-18-11-6-1-3-8(7-17)13(11)19-14/h1-6H,7,17H2,(H,18,19).
What are the key properties of [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine?
[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine has a molecular weight of 259.26 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).