2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol

C16H12F2N2O — CID 137011267

IUPAC2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol
SMILESOc1ccc(F)cc1-c1nc2ccc(F)cc2n1C1CC1
InChIInChI=1S/C16H12F2N2O/c17-9-2-6-15(21)12(7-9)16-19-13-5-1-10(18)8-14(13)20(16)11-3-4-11/h1-2,5-8,11,21H,3-4H2
InChIKeyMTCQXOPGUALUHK-UHFFFAOYSA-N
MW286.28 g/mol
LogP4.02
Rot. Bonds2

About 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol

2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol (PubChem CID 137011267) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol.

Molecular Properties

Compound Name2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol
PubChem CID137011267
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol
SMILESOc1ccc(F)cc1-c1nc2ccc(F)cc2n1C1CC1
InChIInChI=1S/C16H12F2N2O/c17-9-2-6-15(21)12(7-9)16-19-13-5-1-10(18)8-14(13)20(16)11-3-4-11/h1-2,5-8,11,21H,3-4H2
InChIKeyMTCQXOPGUALUHK-UHFFFAOYSA-N
XLogP4.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903801
2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-5-fluorophenol
CID 136789725
2-bromo-1-cyclopropyl-6-fluorobenzimidazole
CID 83844057
1-cyclopropyl-6-fluoro-2-(1H-pyrazol-4-yl)benzimidazole
CID 155530085
5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 62387448
3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614015
1-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]ethanol
CID 135186385
4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79397659
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol
CID 136789763
2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol
CID 135186331
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid
CID 55067796
1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine
CID 55067892

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol?
The IUPAC name of 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol (CID 137011267) is 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol.
What is the SMILES notation for 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol?
The canonical SMILES for 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol is Oc1ccc(F)cc1-c1nc2ccc(F)cc2n1C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol?
The InChIKey is MTCQXOPGUALUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-9-2-6-15(21)12(7-9)16-19-13-5-1-10(18)8-14(13)20(16)11-3-4-11/h1-2,5-8,11,21H,3-4H2.
What are the key properties of 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol?
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol has a molecular weight of 286.28 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol is sourced from PubChem (CID 137011267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).