2-[benzyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]ethanol

C19H22FN3O — CID 110932087

IUPAC2-[benzyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]ethanol
SMILESCCn1c(CN(CCO)Cc2ccccc2)nc2cc(F)ccc21
InChIInChI=1S/C19H22FN3O/c1-2-23-18-9-8-16(20)12-17(18)21-19(23)14-22(10-11-24)13-15-6-4-3-5-7-15/h3-9,12,24H,2,10-11,13-14H2,1H3
InChIKeyFPWCAYXAMCJJAR-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.19
Rot. Bonds7

About 2-[benzyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]ethanol

2-[benzyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]ethanol (PubChem CID 110932087) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-[benzyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]ethanol
PubChem CID110932087
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name2-[benzyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]ethanol
SMILESCCn1c(CN(CCO)Cc2ccccc2)nc2cc(F)ccc21
InChIInChI=1S/C19H22FN3O/c1-2-23-18-9-8-16(20)12-17(18)21-19(23)14-22(10-11-24)13-15-6-4-3-5-7-15/h3-9,12,24H,2,10-11,13-14H2,1H3
InChIKeyFPWCAYXAMCJJAR-UHFFFAOYSA-N
XLogP3.19
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
3-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-fluorobenzimidazol-1-yl]propanenitrile
CID 82311505
1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol
CID 111334193
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline
CID 115339584
2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
CID 60684939
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
CID 60837205
3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 61230255
3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 79872626
2-[(1-ethyl-5-fluorobenzimidazol-2-yl)methoxy]aniline
CID 63745345
2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid
CID 82310896
1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole
CID 91256666

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]ethanol (CID 110932087) is 2-[benzyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]ethanol is CCn1c(CN(CCO)Cc2ccccc2)nc2cc(F)ccc21.
What is the InChIKey of 2-[benzyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]ethanol?
The InChIKey is FPWCAYXAMCJJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-2-23-18-9-8-16(20)12-17(18)21-19(23)14-22(10-11-24)13-15-6-4-3-5-7-15/h3-9,12,24H,2,10-11,13-14H2,1H3.
What are the key properties of 2-[benzyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]ethanol?
2-[benzyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]ethanol has a molecular weight of 327.40 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 110932087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).