3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol

C16H13N3O — CID 135414367

IUPAC3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol
SMILESCn1c(-c2c(O)[nH]c3ccccc23)nc2ccccc21
InChIInChI=1S/C16H13N3O/c1-19-13-9-5-4-8-12(13)17-15(19)14-10-6-2-3-7-11(10)18-16(14)20/h2-9,18,20H,1H3
InChIKeyNLRJTPPRSVVGOW-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.43
Rot. Bonds1

About 3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol

3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol (PubChem CID 135414367) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol
PubChem CID135414367
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol
SMILESCn1c(-c2c(O)[nH]c3ccccc23)nc2ccccc21
InChIInChI=1S/C16H13N3O/c1-19-13-9-5-4-8-12(13)17-15(19)14-10-6-2-3-7-11(10)18-16(14)20/h2-9,18,20H,1H3
InChIKeyNLRJTPPRSVVGOW-UHFFFAOYSA-N
XLogP3.43
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol?
The IUPAC name of 3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol (CID 135414367) is 3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol.
What is the SMILES notation for 3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol?
The canonical SMILES for 3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol is Cn1c(-c2c(O)[nH]c3ccccc23)nc2ccccc21.
What is the InChIKey of 3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol?
The InChIKey is NLRJTPPRSVVGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-19-13-9-5-4-8-12(13)17-15(19)14-10-6-2-3-7-11(10)18-16(14)20/h2-9,18,20H,1H3.
What are the key properties of 3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol?
3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol has a molecular weight of 263.30 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol is sourced from PubChem (CID 135414367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).