1-(3H-benzimidazol-5-yl)-5-(2-fluorophenyl)-4-methylpyrrole-2,3-diol

C18H14FN3O2 — CID 90851702

IUPAC1-(3H-benzimidazol-5-yl)-5-(2-fluorophenyl)-4-methylpyrrole-2,3-diol
SMILESCc1c(O)c(O)n(-c2ccc3nc[nH]c3c2)c1-c1ccccc1F
InChIInChI=1S/C18H14FN3O2/c1-10-16(12-4-2-3-5-13(12)19)22(18(24)17(10)23)11-6-7-14-15(8-11)21-9-20-14/h2-9,23-24H,1H3,(H,20,21)
InChIKeyUBZGRGCSAVIQRL-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.88
Rot. Bonds2

About 1-(3H-benzimidazol-5-yl)-5-(2-fluorophenyl)-4-methylpyrrole-2,3-diol

1-(3H-benzimidazol-5-yl)-5-(2-fluorophenyl)-4-methylpyrrole-2,3-diol (PubChem CID 90851702) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-(2-fluorophenyl)-4-methylpyrrole-2,3-diol.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-(2-fluorophenyl)-4-methylpyrrole-2,3-diol
PubChem CID90851702
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name1-(3H-benzimidazol-5-yl)-5-(2-fluorophenyl)-4-methylpyrrole-2,3-diol
SMILESCc1c(O)c(O)n(-c2ccc3nc[nH]c3c2)c1-c1ccccc1F
InChIInChI=1S/C18H14FN3O2/c1-10-16(12-4-2-3-5-13(12)19)22(18(24)17(10)23)11-6-7-14-15(8-11)21-9-20-14/h2-9,23-24H,1H3,(H,20,21)
InChIKeyUBZGRGCSAVIQRL-UHFFFAOYSA-N
XLogP3.88
TPSA74.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(2-fluorophenyl)-4-methylpyrrole-2,3-diol?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-(2-fluorophenyl)-4-methylpyrrole-2,3-diol (CID 90851702) is 1-(3H-benzimidazol-5-yl)-5-(2-fluorophenyl)-4-methylpyrrole-2,3-diol.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-(2-fluorophenyl)-4-methylpyrrole-2,3-diol?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-(2-fluorophenyl)-4-methylpyrrole-2,3-diol is Cc1c(O)c(O)n(-c2ccc3nc[nH]c3c2)c1-c1ccccc1F.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-(2-fluorophenyl)-4-methylpyrrole-2,3-diol?
The InChIKey is UBZGRGCSAVIQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-10-16(12-4-2-3-5-13(12)19)22(18(24)17(10)23)11-6-7-14-15(8-11)21-9-20-14/h2-9,23-24H,1H3,(H,20,21).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-(2-fluorophenyl)-4-methylpyrrole-2,3-diol?
1-(3H-benzimidazol-5-yl)-5-(2-fluorophenyl)-4-methylpyrrole-2,3-diol has a molecular weight of 323.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-(2-fluorophenyl)-4-methylpyrrole-2,3-diol is sourced from PubChem (CID 90851702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).