2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol

C15H14FN3O — CID 60837203

IUPAC2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol
SMILESOCCNc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1
InChIInChI=1S/C15H14FN3O/c16-11-3-6-13-14(9-11)19-15(18-13)10-1-4-12(5-2-10)17-7-8-20/h1-6,9,17,20H,7-8H2,(H,18,19)
InChIKeyPWDGYIWHHOIDGM-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.77
Rot. Bonds4

About 2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol

2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol (PubChem CID 60837203) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol
PubChem CID60837203
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol
SMILESOCCNc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1
InChIInChI=1S/C15H14FN3O/c16-11-3-6-13-14(9-11)19-15(18-13)10-1-4-12(5-2-10)17-7-8-20/h1-6,9,17,20H,7-8H2,(H,18,19)
InChIKeyPWDGYIWHHOIDGM-UHFFFAOYSA-N
XLogP2.77
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)anilino]ethanol
CID 63268630
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
2-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 118717495
6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole
CID 112730258
2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 113227780
5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 54919597
2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol
CID 136837301
4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline
CID 171679896
6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922110
3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609114
3-[4-(6-bromo-1H-benzimidazol-2-yl)anilino]propane-1,2-diol
CID 168594918
2-(2,6-difluorophenyl)-6-fluoro-1H-benzimidazole
CID 60979328

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol?
The IUPAC name of 2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol (CID 60837203) is 2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol.
What is the SMILES notation for 2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol?
The canonical SMILES for 2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol is OCCNc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1.
What is the InChIKey of 2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol?
The InChIKey is PWDGYIWHHOIDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c16-11-3-6-13-14(9-11)19-15(18-13)10-1-4-12(5-2-10)17-7-8-20/h1-6,9,17,20H,7-8H2,(H,18,19).
What are the key properties of 2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol?
2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol has a molecular weight of 271.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol is sourced from PubChem (CID 60837203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).