2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol

C24H21ClN2O — CID 24759485

IUPAC2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C24H21ClN2O/c1-24(2,28)20-6-4-3-5-19(20)17-10-13-21-22(15-17)27-23(26-21)14-9-16-7-11-18(25)12-8-16/h3-15,28H,1-2H3,(H,26,27)/b14-9+
InChIKeyNNMIYXODOSQCAM-NTEUORMPSA-N
MW388.90 g/mol
LogP6.28
Rot. Bonds4

About 2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol

2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol (PubChem CID 24759485) has the molecular formula C24H21ClN2O and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
PubChem CID24759485
Molecular FormulaC24H21ClN2O
Molecular Weight388.90 g/mol
Exact Mass388.13
IUPAC Name2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C24H21ClN2O/c1-24(2,28)20-6-4-3-5-19(20)17-10-13-21-22(15-17)27-23(26-21)14-9-16-7-11-18(25)12-8-16/h3-15,28H,1-2H3,(H,26,27)/b14-9+
InChIKeyNNMIYXODOSQCAM-NTEUORMPSA-N
XLogP6.28
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol (CID 24759485) is 2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol is CC(C)(O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The InChIKey is NNMIYXODOSQCAM-NTEUORMPSA-N. The full InChI is InChI=1S/C24H21ClN2O/c1-24(2,28)20-6-4-3-5-19(20)17-10-13-21-22(15-17)27-23(26-21)14-9-16-7-11-18(25)12-8-16/h3-15,28H,1-2H3,(H,26,27)/b14-9+.
What are the key properties of 2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol has a molecular weight of 388.90 g/mol, XLogP of 6.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol is sourced from PubChem (CID 24759485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).