1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol

C16H24FN3O — CID 111334193

IUPAC1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol
SMILESCCN(Cc1nc2cc(F)ccc2n1CC)CC(C)(C)O
InChIInChI=1S/C16H24FN3O/c1-5-19(11-16(3,4)21)10-15-18-13-9-12(17)7-8-14(13)20(15)6-2/h7-9,21H,5-6,10-11H2,1-4H3
InChIKeySVTAFFAPCLEWDM-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.79
Rot. Bonds6

About 1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol

1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol (PubChem CID 111334193) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol
PubChem CID111334193
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol
SMILESCCN(Cc1nc2cc(F)ccc2n1CC)CC(C)(C)O
InChIInChI=1S/C16H24FN3O/c1-5-19(11-16(3,4)21)10-15-18-13-9-12(17)7-8-14(13)20(15)6-2/h7-9,21H,5-6,10-11H2,1-4H3
InChIKeySVTAFFAPCLEWDM-UHFFFAOYSA-N
XLogP2.79
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
2-[benzyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]ethanol
CID 110932087
3-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-fluorobenzimidazol-1-yl]propanenitrile
CID 82311505
3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 79872626
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
CID 60837205
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113307952
3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine
CID 114285540
2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82311668
3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline
CID 115339584
1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole
CID 75426367
N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 82332259
3-[2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine
CID 43666168

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol (CID 111334193) is 1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol is CCN(Cc1nc2cc(F)ccc2n1CC)CC(C)(C)O.
What is the InChIKey of 1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol?
The InChIKey is SVTAFFAPCLEWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-5-19(11-16(3,4)21)10-15-18-13-9-12(17)7-8-14(13)20(15)6-2/h7-9,21H,5-6,10-11H2,1-4H3.
What are the key properties of 1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol has a molecular weight of 293.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 111334193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).