1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol

C16H16FN3O — CID 82682714

IUPAC1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCn1c(CC(O)c2cc(F)ccc2N)nc2ccccc21
InChIInChI=1S/C16H16FN3O/c1-20-14-5-3-2-4-13(14)19-16(20)9-15(21)11-8-10(17)6-7-12(11)18/h2-8,15,21H,9,18H2,1H3
InChIKeyMQTLJTVETXSUBR-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.57
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol

1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol (PubChem CID 82682714) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
PubChem CID82682714
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCn1c(CC(O)c2cc(F)ccc2N)nc2ccccc21
InChIInChI=1S/C16H16FN3O/c1-20-14-5-3-2-4-13(14)19-16(20)9-15(21)11-8-10(17)6-7-12(11)18/h2-8,15,21H,9,18H2,1H3
InChIKeyMQTLJTVETXSUBR-UHFFFAOYSA-N
XLogP2.57
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79754597
1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79756071
1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753862
(1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 680857
1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol
CID 82685328
1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 105066358
1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol
CID 111916349
5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83130766
4-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83129949
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79753671
(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 763733

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol (CID 82682714) is 1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol is Cn1c(CC(O)c2cc(F)ccc2N)nc2ccccc21.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The InChIKey is MQTLJTVETXSUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-20-14-5-3-2-4-13(14)19-16(20)9-15(21)11-8-10(17)6-7-12(11)18/h2-8,15,21H,9,18H2,1H3.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol has a molecular weight of 285.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 82682714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).