3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1-propan-2-ylindol-2-ol

C19H16BrN3O — CID 177375104

IUPAC3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1-propan-2-ylindol-2-ol
SMILESCC(C)n1c(O)c(/C=c2\ccc3c(c2)N=CN=3)c2c(Br)cccc21
InChIInChI=1S/C19H16BrN3O/c1-11(2)23-17-5-3-4-14(20)18(17)13(19(23)24)8-12-6-7-15-16(9-12)22-10-21-15/h3-11,24H,1-2H3/b12-8+
InChIKeyHQFOUSBLPHFLHT-XYOKQWHBSA-N
MW382.26 g/mol
LogP3.81
Rot. Bonds2

About 3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1-propan-2-ylindol-2-ol

3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1-propan-2-ylindol-2-ol (PubChem CID 177375104) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1-propan-2-ylindol-2-ol.

Molecular Properties

Compound Name3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1-propan-2-ylindol-2-ol
PubChem CID177375104
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1-propan-2-ylindol-2-ol
SMILESCC(C)n1c(O)c(/C=c2\ccc3c(c2)N=CN=3)c2c(Br)cccc21
InChIInChI=1S/C19H16BrN3O/c1-11(2)23-17-5-3-4-14(20)18(17)13(19(23)24)8-12-6-7-15-16(9-12)22-10-21-15/h3-11,24H,1-2H3/b12-8+
InChIKeyHQFOUSBLPHFLHT-XYOKQWHBSA-N
XLogP3.81
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1-propan-2-ylindol-2-ol?
The IUPAC name of 3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1-propan-2-ylindol-2-ol (CID 177375104) is 3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1-propan-2-ylindol-2-ol.
What is the SMILES notation for 3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1-propan-2-ylindol-2-ol?
The canonical SMILES for 3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1-propan-2-ylindol-2-ol is CC(C)n1c(O)c(/C=c2\ccc3c(c2)N=CN=3)c2c(Br)cccc21.
What is the InChIKey of 3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1-propan-2-ylindol-2-ol?
The InChIKey is HQFOUSBLPHFLHT-XYOKQWHBSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-11(2)23-17-5-3-4-14(20)18(17)13(19(23)24)8-12-6-7-15-16(9-12)22-10-21-15/h3-11,24H,1-2H3/b12-8+.
What are the key properties of 3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1-propan-2-ylindol-2-ol?
3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1-propan-2-ylindol-2-ol has a molecular weight of 382.26 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-benzimidazol-5-ylidenemethyl]-4-bromo-1-propan-2-ylindol-2-ol is sourced from PubChem (CID 177375104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).