N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine

C16H15F2N3O2 — CID 133410892

IUPACN-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine
SMILESCOc1ccc(OC(F)F)c(CNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H15F2N3O2/c1-22-11-6-7-14(23-15(17)18)10(8-11)9-19-16-20-12-4-2-3-5-13(12)21-16/h2-8,15H,9H2,1H3,(H2,19,20,21)
InChIKeyZYPWUGSBFGVVSO-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.79
Rot. Bonds6

About N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine

N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine (PubChem CID 133410892) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine
PubChem CID133410892
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC NameN-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine
SMILESCOc1ccc(OC(F)F)c(CNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H15F2N3O2/c1-22-11-6-7-14(23-15(17)18)10(8-11)9-19-16-20-12-4-2-3-5-13(12)21-16/h2-8,15H,9H2,1H3,(H2,19,20,21)
InChIKeyZYPWUGSBFGVVSO-UHFFFAOYSA-N
XLogP3.79
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-1H-benzimidazol-2-amine
CID 133410891
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine
CID 133410006
N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 60923540
N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 154703945
N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410366
N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine
CID 133410527
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine
CID 133493352
6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine
CID 129189179
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410298
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol
CID 43699564
N-[2-(3,5-dimethoxyphenoxy)ethyl]-1H-benzimidazol-2-amine
CID 133410971
N-[(2,4-dimethylphenyl)methyl]-1H-benzimidazol-2-amine
CID 115143837

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine (CID 133410892) is N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine is COc1ccc(OC(F)F)c(CNc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine?
The InChIKey is ZYPWUGSBFGVVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-22-11-6-7-14(23-15(17)18)10(8-11)9-19-16-20-12-4-2-3-5-13(12)21-16/h2-8,15H,9H2,1H3,(H2,19,20,21).
What are the key properties of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine?
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine has a molecular weight of 319.31 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 133410892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).