3-(1H-benzimidazol-2-ylmethyl)-1-ethyl-6-fluoroindol-4-ol

C18H16FN3O — CID 67234935

IUPAC3-(1H-benzimidazol-2-ylmethyl)-1-ethyl-6-fluoroindol-4-ol
SMILESCCn1cc(Cc2nc3ccccc3[nH]2)c2c(O)cc(F)cc21
InChIInChI=1S/C18H16FN3O/c1-2-22-10-11(18-15(22)8-12(19)9-16(18)23)7-17-20-13-5-3-4-6-14(13)21-17/h3-6,8-10,23H,2,7H2,1H3,(H,20,21)
InChIKeyLBPZVHUGVLKYFC-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.97
Rot. Bonds3

About 3-(1H-benzimidazol-2-ylmethyl)-1-ethyl-6-fluoroindol-4-ol

3-(1H-benzimidazol-2-ylmethyl)-1-ethyl-6-fluoroindol-4-ol (PubChem CID 67234935) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylmethyl)-1-ethyl-6-fluoroindol-4-ol.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylmethyl)-1-ethyl-6-fluoroindol-4-ol
PubChem CID67234935
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name3-(1H-benzimidazol-2-ylmethyl)-1-ethyl-6-fluoroindol-4-ol
SMILESCCn1cc(Cc2nc3ccccc3[nH]2)c2c(O)cc(F)cc21
InChIInChI=1S/C18H16FN3O/c1-2-22-10-11(18-15(22)8-12(19)9-16(18)23)7-17-20-13-5-3-4-6-14(13)21-17/h3-6,8-10,23H,2,7H2,1H3,(H,20,21)
InChIKeyLBPZVHUGVLKYFC-UHFFFAOYSA-N
XLogP3.97
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-1-ethyl-6-fluoroindol-4-ol?
The IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-1-ethyl-6-fluoroindol-4-ol (CID 67234935) is 3-(1H-benzimidazol-2-ylmethyl)-1-ethyl-6-fluoroindol-4-ol.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylmethyl)-1-ethyl-6-fluoroindol-4-ol?
The canonical SMILES for 3-(1H-benzimidazol-2-ylmethyl)-1-ethyl-6-fluoroindol-4-ol is CCn1cc(Cc2nc3ccccc3[nH]2)c2c(O)cc(F)cc21.
What is the InChIKey of 3-(1H-benzimidazol-2-ylmethyl)-1-ethyl-6-fluoroindol-4-ol?
The InChIKey is LBPZVHUGVLKYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-2-22-10-11(18-15(22)8-12(19)9-16(18)23)7-17-20-13-5-3-4-6-14(13)21-17/h3-6,8-10,23H,2,7H2,1H3,(H,20,21).
What are the key properties of 3-(1H-benzimidazol-2-ylmethyl)-1-ethyl-6-fluoroindol-4-ol?
3-(1H-benzimidazol-2-ylmethyl)-1-ethyl-6-fluoroindol-4-ol has a molecular weight of 309.34 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylmethyl)-1-ethyl-6-fluoroindol-4-ol is sourced from PubChem (CID 67234935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).