2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol

C15H22FN3O — CID 82311768

IUPAC2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol
SMILESCC(C)C(c1nc2cc(F)ccc2n1CCO)N(C)C
InChIInChI=1S/C15H22FN3O/c1-10(2)14(18(3)4)15-17-12-9-11(16)5-6-13(12)19(15)7-8-20/h5-6,9-10,14,20H,7-8H2,1-4H3
InChIKeyRRTHKIBVLXHNIA-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.43
Rot. Bonds5

About 2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol

2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol (PubChem CID 82311768) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol
PubChem CID82311768
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol
SMILESCC(C)C(c1nc2cc(F)ccc2n1CCO)N(C)C
InChIInChI=1S/C15H22FN3O/c1-10(2)14(18(3)4)15-17-12-9-11(16)5-6-13(12)19(15)7-8-20/h5-6,9-10,14,20H,7-8H2,1-4H3
InChIKeyRRTHKIBVLXHNIA-UHFFFAOYSA-N
XLogP2.43
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol
CID 82311721
2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol
CID 82311726
4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine
CID 82310864
1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine
CID 82310809
2-[2-[1-(dimethylamino)ethyl]-5-ethoxybenzimidazol-1-yl]ethanol
CID 82311699
1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine
CID 82332092
2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol
CID 82332433
3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 61230255
2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole
CID 82332408
3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine
CID 82310804
4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide
CID 60863436
1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine
CID 82311438

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol (CID 82311768) is 2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol is CC(C)C(c1nc2cc(F)ccc2n1CCO)N(C)C.
What is the InChIKey of 2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol?
The InChIKey is RRTHKIBVLXHNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10(2)14(18(3)4)15-17-12-9-11(16)5-6-13(12)19(15)7-8-20/h5-6,9-10,14,20H,7-8H2,1-4H3.
What are the key properties of 2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol?
2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol has a molecular weight of 279.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol is sourced from PubChem (CID 82311768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).