[2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine

C14H11F2N3 — CID 104721059

IUPAC[2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(-c3cc(F)cc(F)c3)nc12
InChIInChI=1S/C14H11F2N3/c15-10-4-9(5-11(16)6-10)14-18-12-3-1-2-8(7-17)13(12)19-14/h1-6H,7,17H2,(H,18,19)
InChIKeyOCCQTZSZJIJSMV-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.97
Rot. Bonds2

About [2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine

[2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 104721059) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is [2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
PubChem CID104721059
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name[2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(-c3cc(F)cc(F)c3)nc12
InChIInChI=1S/C14H11F2N3/c15-10-4-9(5-11(16)6-10)14-18-12-3-1-2-8(7-17)13(12)19-14/h1-6H,7,17H2,(H,18,19)
InChIKeyOCCQTZSZJIJSMV-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-(3,5-difluorophenyl)-1H-benzimidazol-4-amine
CID 63694063
[2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 107994630
[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721233
[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721321
[2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721162
[2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721024
[2-(furan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721099
[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721133
[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 103311170
[2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721322
[2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721055
4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole
CID 81462567

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine (CID 104721059) is [2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine is NCc1cccc2[nH]c(-c3cc(F)cc(F)c3)nc12.
What is the InChIKey of [2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is OCCQTZSZJIJSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c15-10-4-9(5-11(16)6-10)14-18-12-3-1-2-8(7-17)13(12)19-14/h1-6H,7,17H2,(H,18,19).
What are the key properties of [2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine?
[2-(3,5-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-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).