6-[2-[2-(3-methylbutyl)benzimidazol-1-yl]ethyl]indolo[3,2-b]quinoxaline

C28H27N5 — CID 4033847

IUPAC6-[2-[2-(3-methylbutyl)benzimidazol-1-yl]ethyl]indolo[3,2-b]quinoxaline
SMILESCC(C)CCc1nc2ccccc2n1CCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C28H27N5/c1-19(2)15-16-26-29-23-12-6-8-14-25(23)32(26)17-18-33-24-13-7-3-9-20(24)27-28(33)31-22-11-5-4-10-21(22)30-27/h3-14,19H,15-18H2,1-2H3
InChIKeyIPISWFXVILFSOO-UHFFFAOYSA-N
MW433.56 g/mol
LogP6.38
Rot. Bonds6

About 6-[2-[2-(3-methylbutyl)benzimidazol-1-yl]ethyl]indolo[3,2-b]quinoxaline

6-[2-[2-(3-methylbutyl)benzimidazol-1-yl]ethyl]indolo[3,2-b]quinoxaline (PubChem CID 4033847) has the molecular formula C28H27N5 and a molecular weight of 433.56 g/mol. Its IUPAC name is 6-[2-[2-(3-methylbutyl)benzimidazol-1-yl]ethyl]indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name6-[2-[2-(3-methylbutyl)benzimidazol-1-yl]ethyl]indolo[3,2-b]quinoxaline
PubChem CID4033847
Molecular FormulaC28H27N5
Molecular Weight433.56 g/mol
Exact Mass433.23
IUPAC Name6-[2-[2-(3-methylbutyl)benzimidazol-1-yl]ethyl]indolo[3,2-b]quinoxaline
SMILESCC(C)CCc1nc2ccccc2n1CCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C28H27N5/c1-19(2)15-16-26-29-23-12-6-8-14-25(23)32(26)17-18-33-24-13-7-3-9-20(24)27-28(33)31-22-11-5-4-10-21(22)30-27/h3-14,19H,15-18H2,1-2H3
InChIKeyIPISWFXVILFSOO-UHFFFAOYSA-N
XLogP6.38
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(3-methylbutyl)benzimidazol-1-yl]ethyl]indolo[3,2-b]quinoxaline?
The IUPAC name of 6-[2-[2-(3-methylbutyl)benzimidazol-1-yl]ethyl]indolo[3,2-b]quinoxaline (CID 4033847) is 6-[2-[2-(3-methylbutyl)benzimidazol-1-yl]ethyl]indolo[3,2-b]quinoxaline.
What is the SMILES notation for 6-[2-[2-(3-methylbutyl)benzimidazol-1-yl]ethyl]indolo[3,2-b]quinoxaline?
The canonical SMILES for 6-[2-[2-(3-methylbutyl)benzimidazol-1-yl]ethyl]indolo[3,2-b]quinoxaline is CC(C)CCc1nc2ccccc2n1CCn1c2ccccc2c2nc3ccccc3nc21.
What is the InChIKey of 6-[2-[2-(3-methylbutyl)benzimidazol-1-yl]ethyl]indolo[3,2-b]quinoxaline?
The InChIKey is IPISWFXVILFSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5/c1-19(2)15-16-26-29-23-12-6-8-14-25(23)32(26)17-18-33-24-13-7-3-9-20(24)27-28(33)31-22-11-5-4-10-21(22)30-27/h3-14,19H,15-18H2,1-2H3.
What are the key properties of 6-[2-[2-(3-methylbutyl)benzimidazol-1-yl]ethyl]indolo[3,2-b]quinoxaline?
6-[2-[2-(3-methylbutyl)benzimidazol-1-yl]ethyl]indolo[3,2-b]quinoxaline has a molecular weight of 433.56 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(3-methylbutyl)benzimidazol-1-yl]ethyl]indolo[3,2-b]quinoxaline is sourced from PubChem (CID 4033847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).