1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol

C18H19F2N3O — CID 111916349

IUPAC1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol
SMILESCN(Cc1nc2ccccc2n1C)CC(O)c1ccc(F)cc1F
InChIInChI=1S/C18H19F2N3O/c1-22(10-17(24)13-8-7-12(19)9-14(13)20)11-18-21-15-5-3-4-6-16(15)23(18)2/h3-9,17,24H,10-11H2,1-2H3
InChIKeyFITMBTFAZDYZBT-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.02
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol

1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol (PubChem CID 111916349) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol
PubChem CID111916349
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol
SMILESCN(Cc1nc2ccccc2n1C)CC(O)c1ccc(F)cc1F
InChIInChI=1S/C18H19F2N3O/c1-22(10-17(24)13-8-7-12(19)9-14(13)20)11-18-21-15-5-3-4-6-16(15)23(18)2/h3-9,17,24H,10-11H2,1-2H3
InChIKeyFITMBTFAZDYZBT-UHFFFAOYSA-N
XLogP3.02
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 82682714
5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83130766
1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79754597
4-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83129949
4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]methyl]benzonitrile
CID 110897867
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 110897729
2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 110009988
1-(4-fluoro-2-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 111629898
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 71864058
(1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol
CID 94379783
(E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine
CID 22114991
2,4-difluoro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 4787678

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol (CID 111916349) is 1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol is CN(Cc1nc2ccccc2n1C)CC(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol?
The InChIKey is FITMBTFAZDYZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-22(10-17(24)13-8-7-12(19)9-14(13)20)11-18-21-15-5-3-4-6-16(15)23(18)2/h3-9,17,24H,10-11H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol?
1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol has a molecular weight of 331.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 111916349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).