2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol

C16H13FN2O2 — CID 136903801

IUPAC2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol
SMILESOc1ccc(O)c(-c2nc3ccc(F)cc3n2C2CC2)c1
InChIInChI=1S/C16H13FN2O2/c17-9-1-5-13-14(7-9)19(10-2-3-10)16(18-13)12-8-11(20)4-6-15(12)21/h1,4-8,10,20-21H,2-3H2
InChIKeyJTBIQHPNZKHRCW-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.59
Rot. Bonds2

About 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol

2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol (PubChem CID 136903801) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol
PubChem CID136903801
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol
SMILESOc1ccc(O)c(-c2nc3ccc(F)cc3n2C2CC2)c1
InChIInChI=1S/C16H13FN2O2/c17-9-1-5-13-14(7-9)19(10-2-3-10)16(18-13)12-8-11(20)4-6-15(12)21/h1,4-8,10,20-21H,2-3H2
InChIKeyJTBIQHPNZKHRCW-UHFFFAOYSA-N
XLogP3.59
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol
CID 137011267
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
4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diol
CID 136903824
2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903733
2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903729
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol?
The IUPAC name of 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol (CID 136903801) is 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol?
The canonical SMILES for 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol is Oc1ccc(O)c(-c2nc3ccc(F)cc3n2C2CC2)c1.
What is the InChIKey of 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol?
The InChIKey is JTBIQHPNZKHRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-9-1-5-13-14(7-9)19(10-2-3-10)16(18-13)12-8-11(20)4-6-15(12)21/h1,4-8,10,20-21H,2-3H2.
What are the key properties of 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol?
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol has a molecular weight of 284.29 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol is sourced from PubChem (CID 136903801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).