6-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,9-trimethylindolo[3,2-b]quinoxaline

C21H21N5 — CID 176729779

IUPAC6-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,9-trimethylindolo[3,2-b]quinoxaline
SMILESCc1ccc2c(c1)c1nc3cc(C)c(C)cc3nc1n2CC1=NCCN1
InChIInChI=1S/C21H21N5/c1-12-4-5-18-15(8-12)20-21(26(18)11-19-22-6-7-23-19)25-17-10-14(3)13(2)9-16(17)24-20/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,23)
InChIKeyYDXQHAIEHIFVLQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.66
Rot. Bonds2

About 6-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,9-trimethylindolo[3,2-b]quinoxaline

6-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,9-trimethylindolo[3,2-b]quinoxaline (PubChem CID 176729779) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,9-trimethylindolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,9-trimethylindolo[3,2-b]quinoxaline
PubChem CID176729779
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,9-trimethylindolo[3,2-b]quinoxaline
SMILESCc1ccc2c(c1)c1nc3cc(C)c(C)cc3nc1n2CC1=NCCN1
InChIInChI=1S/C21H21N5/c1-12-4-5-18-15(8-12)20-21(26(18)11-19-22-6-7-23-19)25-17-10-14(3)13(2)9-16(17)24-20/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,23)
InChIKeyYDXQHAIEHIFVLQ-UHFFFAOYSA-N
XLogP3.66
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,9-trimethylindolo[3,2-b]quinoxaline?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,9-trimethylindolo[3,2-b]quinoxaline (CID 176729779) is 6-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,9-trimethylindolo[3,2-b]quinoxaline.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,9-trimethylindolo[3,2-b]quinoxaline?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,9-trimethylindolo[3,2-b]quinoxaline is Cc1ccc2c(c1)c1nc3cc(C)c(C)cc3nc1n2CC1=NCCN1.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,9-trimethylindolo[3,2-b]quinoxaline?
The InChIKey is YDXQHAIEHIFVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-12-4-5-18-15(8-12)20-21(26(18)11-19-22-6-7-23-19)25-17-10-14(3)13(2)9-16(17)24-20/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,23).
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,9-trimethylindolo[3,2-b]quinoxaline?
6-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,9-trimethylindolo[3,2-b]quinoxaline has a molecular weight of 343.43 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,9-trimethylindolo[3,2-b]quinoxaline is sourced from PubChem (CID 176729779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).