2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol

C16H12ClFN2O — CID 136789763

IUPAC2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol
SMILESOc1cccc(F)c1-c1nc2ccc(Cl)cc2n1C1CC1
InChIInChI=1S/C16H12ClFN2O/c17-9-4-7-12-13(8-9)20(10-5-6-10)16(19-12)15-11(18)2-1-3-14(15)21/h1-4,7-8,10,21H,5-6H2
InChIKeyLJXQKZGNQPUGQL-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.54
Rot. Bonds2

About 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol

2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol (PubChem CID 136789763) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol.

Molecular Properties

Compound Name2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol
PubChem CID136789763
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol
SMILESOc1cccc(F)c1-c1nc2ccc(Cl)cc2n1C1CC1
InChIInChI=1S/C16H12ClFN2O/c17-9-4-7-12-13(8-9)20(10-5-6-10)16(19-12)15-11(18)2-1-3-14(15)21/h1-4,7-8,10,21H,5-6H2
InChIKeyLJXQKZGNQPUGQL-UHFFFAOYSA-N
XLogP4.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline
CID 115473210
2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-fluorophenol
CID 136789732
5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline
CID 115473239
2-bromo-5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 107812844
2-bromo-4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473314
4-bromo-3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473276
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol
CID 137011267
4-chloro-3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473292
4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline
CID 104698563
4-cyclopropyl-3-(2-fluoro-6-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
CID 136959774
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915509
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903801

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol?
The IUPAC name of 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol (CID 136789763) is 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol.
What is the SMILES notation for 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol?
The canonical SMILES for 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol is Oc1cccc(F)c1-c1nc2ccc(Cl)cc2n1C1CC1.
What is the InChIKey of 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol?
The InChIKey is LJXQKZGNQPUGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-9-4-7-12-13(8-9)20(10-5-6-10)16(19-12)15-11(18)2-1-3-14(15)21/h1-4,7-8,10,21H,5-6H2.
What are the key properties of 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol?
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol has a molecular weight of 302.74 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol is sourced from PubChem (CID 136789763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).