[2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine

C15H13F2N3 — CID 104713201

IUPAC[2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(-c2ccc(F)c(F)c2)nc2ccc(CN)cc21
InChIInChI=1S/C15H13F2N3/c1-20-14-6-9(8-18)2-5-13(14)19-15(20)10-3-4-11(16)12(17)7-10/h2-7H,8,18H2,1H3
InChIKeyBPMPUBBJUGNJCL-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.98
Rot. Bonds2

About [2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine

[2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine (PubChem CID 104713201) has the molecular formula C15H13F2N3 and a molecular weight of 273.29 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine
PubChem CID104713201
Molecular FormulaC15H13F2N3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name[2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(-c2ccc(F)c(F)c2)nc2ccc(CN)cc21
InChIInChI=1S/C15H13F2N3/c1-20-14-6-9(8-18)2-5-13(14)19-15(20)10-3-4-11(16)12(17)7-10/h2-7H,8,18H2,1H3
InChIKeyBPMPUBBJUGNJCL-UHFFFAOYSA-N
XLogP2.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-difluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65038170
[2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713110
[3-methyl-2-(2-methyl-4-pyridinyl)benzimidazol-5-yl]methanamine
CID 106754392
[2-(3-chloro-5-methylphenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713172
[1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine
CID 65037693
[3-methyl-2-(1H-pyrazol-4-yl)benzimidazol-5-yl]methanamine
CID 113444392
[2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 104713141
6-(aminomethyl)-1-methylbenzimidazol-2-amine
CID 84767207
[3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine
CID 104712925
[6-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104713063
[3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine
CID 113444368
[2-(2,5-difluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040476

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine (CID 104713201) is [2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine is Cn1c(-c2ccc(F)c(F)c2)nc2ccc(CN)cc21.
What is the InChIKey of [2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine?
The InChIKey is BPMPUBBJUGNJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3/c1-20-14-6-9(8-18)2-5-13(14)19-15(20)10-3-4-11(16)12(17)7-10/h2-7H,8,18H2,1H3.
What are the key properties of [2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine?
[2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine has a molecular weight of 273.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-3-methylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 104713201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).