N-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-1-(1-methylbenzimidazol-5-yl)methanamine

C19H17F2N5 — CID 166361315

IUPACN-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-1-(1-methylbenzimidazol-5-yl)methanamine
SMILESCn1cnc2cc(CNCc3ccn(-c4c(F)cccc4F)n3)ccc21
InChIInChI=1S/C19H17F2N5/c1-25-12-23-17-9-13(5-6-18(17)25)10-22-11-14-7-8-26(24-14)19-15(20)3-2-4-16(19)21/h2-9,12,22H,10-11H2,1H3
InChIKeyVKGXKRQGPSTESB-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.33
Rot. Bonds5

About N-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-1-(1-methylbenzimidazol-5-yl)methanamine

N-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-1-(1-methylbenzimidazol-5-yl)methanamine (PubChem CID 166361315) has the molecular formula C19H17F2N5 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-1-(1-methylbenzimidazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-1-(1-methylbenzimidazol-5-yl)methanamine
PubChem CID166361315
Molecular FormulaC19H17F2N5
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-1-(1-methylbenzimidazol-5-yl)methanamine
SMILESCn1cnc2cc(CNCc3ccn(-c4c(F)cccc4F)n3)ccc21
InChIInChI=1S/C19H17F2N5/c1-25-12-23-17-9-13(5-6-18(17)25)10-22-11-14-7-8-26(24-14)19-15(20)3-2-4-16(19)21/h2-9,12,22H,10-11H2,1H3
InChIKeyVKGXKRQGPSTESB-UHFFFAOYSA-N
XLogP3.33
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-1-(1-methylbenzimidazol-5-yl)methanamine?
The IUPAC name of N-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-1-(1-methylbenzimidazol-5-yl)methanamine (CID 166361315) is N-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-1-(1-methylbenzimidazol-5-yl)methanamine.
What is the SMILES notation for N-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-1-(1-methylbenzimidazol-5-yl)methanamine?
The canonical SMILES for N-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-1-(1-methylbenzimidazol-5-yl)methanamine is Cn1cnc2cc(CNCc3ccn(-c4c(F)cccc4F)n3)ccc21.
What is the InChIKey of N-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-1-(1-methylbenzimidazol-5-yl)methanamine?
The InChIKey is VKGXKRQGPSTESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5/c1-25-12-23-17-9-13(5-6-18(17)25)10-22-11-14-7-8-26(24-14)19-15(20)3-2-4-16(19)21/h2-9,12,22H,10-11H2,1H3.
What are the key properties of N-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-1-(1-methylbenzimidazol-5-yl)methanamine?
N-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-1-(1-methylbenzimidazol-5-yl)methanamine has a molecular weight of 353.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]-1-(1-methylbenzimidazol-5-yl)methanamine is sourced from PubChem (CID 166361315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).