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

C15H13F2N3 — CID 11659101

IUPAC[5-(2,4-difluorophenyl)-3-methylbenzimidazol-4-yl]methanamine
SMILESCn1cnc2ccc(-c3ccc(F)cc3F)c(CN)c21
InChIInChI=1S/C15H13F2N3/c1-20-8-19-14-5-4-10(12(7-18)15(14)20)11-3-2-9(16)6-13(11)17/h2-6,8H,7,18H2,1H3
InChIKeyPHVZBRDAIZHXBF-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.98
Rot. Bonds2

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

[5-(2,4-difluorophenyl)-3-methylbenzimidazol-4-yl]methanamine (PubChem CID 11659101) has the molecular formula C15H13F2N3 and a molecular weight of 273.29 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)-3-methylbenzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)-3-methylbenzimidazol-4-yl]methanamine
PubChem CID11659101
Molecular FormulaC15H13F2N3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name[5-(2,4-difluorophenyl)-3-methylbenzimidazol-4-yl]methanamine
SMILESCn1cnc2ccc(-c3ccc(F)cc3F)c(CN)c21
InChIInChI=1S/C15H13F2N3/c1-20-8-19-14-5-4-10(12(7-18)15(14)20)11-3-2-9(16)6-13(11)17/h2-6,8H,7,18H2,1H3
InChIKeyPHVZBRDAIZHXBF-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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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)-3-methylbenzimidazol-4-yl]methanamine?
The IUPAC name of [5-(2,4-difluorophenyl)-3-methylbenzimidazol-4-yl]methanamine (CID 11659101) is [5-(2,4-difluorophenyl)-3-methylbenzimidazol-4-yl]methanamine.
What is the SMILES notation for [5-(2,4-difluorophenyl)-3-methylbenzimidazol-4-yl]methanamine?
The canonical SMILES for [5-(2,4-difluorophenyl)-3-methylbenzimidazol-4-yl]methanamine is Cn1cnc2ccc(-c3ccc(F)cc3F)c(CN)c21.
What is the InChIKey of [5-(2,4-difluorophenyl)-3-methylbenzimidazol-4-yl]methanamine?
The InChIKey is PHVZBRDAIZHXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3/c1-20-8-19-14-5-4-10(12(7-18)15(14)20)11-3-2-9(16)6-13(11)17/h2-6,8H,7,18H2,1H3.
What are the key properties of [5-(2,4-difluorophenyl)-3-methylbenzimidazol-4-yl]methanamine?
[5-(2,4-difluorophenyl)-3-methylbenzimidazol-4-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 [5-(2,4-difluorophenyl)-3-methylbenzimidazol-4-yl]methanamine is sourced from PubChem (CID 11659101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).