[4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine

C17H17F2N3O — CID 94756849

IUPAC[4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
SMILESCOCc1nc2cc(F)c(F)cc2n1Cc1ccc(CN)cc1
InChIInChI=1S/C17H17F2N3O/c1-23-10-17-21-15-6-13(18)14(19)7-16(15)22(17)9-12-4-2-11(8-20)3-5-12/h2-7H,8-10,20H2,1H3
InChIKeyFFWRANUFAPDTCV-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.97
Rot. Bonds5

About [4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine

[4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine (PubChem CID 94756849) has the molecular formula C17H17F2N3O and a molecular weight of 317.34 g/mol. Its IUPAC name is [4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
PubChem CID94756849
Molecular FormulaC17H17F2N3O
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name[4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
SMILESCOCc1nc2cc(F)c(F)cc2n1Cc1ccc(CN)cc1
InChIInChI=1S/C17H17F2N3O/c1-23-10-17-21-15-6-13(18)14(19)7-16(15)22(17)9-12-4-2-11(8-20)3-5-12/h2-7H,8-10,20H2,1H3
InChIKeyFFWRANUFAPDTCV-UHFFFAOYSA-N
XLogP2.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine with MolForge

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Related Compounds

[4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150134
2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine
CID 82146284
[4-[(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)methyl]phenyl]methanamine
CID 82150142
2-[5,6-dichloro-2-(methoxymethyl)benzimidazol-1-yl]ethanamine
CID 82146026
[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 65037745
[4-[[5,6-dimethyl-2-(2-methylpropyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 94756838
[5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332052
5-ethoxy-2-(methoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole
CID 134126943
[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332049
2-(methoxymethyl)-N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-5-amine
CID 134126957
1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 718215
4-[[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]methyl]benzonitrile
CID 82149266

Frequently Asked Questions

What is the IUPAC name of [4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine (CID 94756849) is [4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine is COCc1nc2cc(F)c(F)cc2n1Cc1ccc(CN)cc1.
What is the InChIKey of [4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine?
The InChIKey is FFWRANUFAPDTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O/c1-23-10-17-21-15-6-13(18)14(19)7-16(15)22(17)9-12-4-2-11(8-20)3-5-12/h2-7H,8-10,20H2,1H3.
What are the key properties of [4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine?
[4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine has a molecular weight of 317.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 94756849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).