1-(2-benzylbenzimidazol-1-yl)-3-indol-1-ylpropan-2-ol

C25H23N3O — CID 2968123

IUPAC1-(2-benzylbenzimidazol-1-yl)-3-indol-1-ylpropan-2-ol
SMILESOC(Cn1ccc2ccccc21)Cn1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C25H23N3O/c29-21(17-27-15-14-20-10-4-6-12-23(20)27)18-28-24-13-7-5-11-22(24)26-25(28)16-19-8-2-1-3-9-19/h1-15,21,29H,16-18H2
InChIKeyDTULNVHCDCVZTD-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.64
Rot. Bonds6

About 1-(2-benzylbenzimidazol-1-yl)-3-indol-1-ylpropan-2-ol

1-(2-benzylbenzimidazol-1-yl)-3-indol-1-ylpropan-2-ol (PubChem CID 2968123) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(2-benzylbenzimidazol-1-yl)-3-indol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-benzylbenzimidazol-1-yl)-3-indol-1-ylpropan-2-ol
PubChem CID2968123
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name1-(2-benzylbenzimidazol-1-yl)-3-indol-1-ylpropan-2-ol
SMILESOC(Cn1ccc2ccccc21)Cn1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C25H23N3O/c29-21(17-27-15-14-20-10-4-6-12-23(20)27)18-28-24-13-7-5-11-22(24)26-25(28)16-19-8-2-1-3-9-19/h1-15,21,29H,16-18H2
InChIKeyDTULNVHCDCVZTD-UHFFFAOYSA-N
XLogP4.64
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylbenzimidazol-1-yl)-3-indol-1-ylpropan-2-ol?
The IUPAC name of 1-(2-benzylbenzimidazol-1-yl)-3-indol-1-ylpropan-2-ol (CID 2968123) is 1-(2-benzylbenzimidazol-1-yl)-3-indol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2-benzylbenzimidazol-1-yl)-3-indol-1-ylpropan-2-ol?
The canonical SMILES for 1-(2-benzylbenzimidazol-1-yl)-3-indol-1-ylpropan-2-ol is OC(Cn1ccc2ccccc21)Cn1c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-(2-benzylbenzimidazol-1-yl)-3-indol-1-ylpropan-2-ol?
The InChIKey is DTULNVHCDCVZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c29-21(17-27-15-14-20-10-4-6-12-23(20)27)18-28-24-13-7-5-11-22(24)26-25(28)16-19-8-2-1-3-9-19/h1-15,21,29H,16-18H2.
What are the key properties of 1-(2-benzylbenzimidazol-1-yl)-3-indol-1-ylpropan-2-ol?
1-(2-benzylbenzimidazol-1-yl)-3-indol-1-ylpropan-2-ol has a molecular weight of 381.48 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylbenzimidazol-1-yl)-3-indol-1-ylpropan-2-ol is sourced from PubChem (CID 2968123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).