1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine

C26H22N6O — CID 4971076

IUPAC1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESCCOc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C26H22N6O/c1-3-33-17-14-12-16(13-15-17)32-24(27)22(25-30-20-10-6-7-11-21(20)31(25)2)23-26(32)29-19-9-5-4-8-18(19)28-23/h4-15H,3,27H2,1-2H3
InChIKeyKTXSYRSOTILTLI-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.11
Rot. Bonds4

About 1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine

1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 4971076) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID4971076
Molecular FormulaC26H22N6O
Molecular Weight434.50 g/mol
Exact Mass434.19
IUPAC Name1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESCCOc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C26H22N6O/c1-3-33-17-14-12-16(13-15-17)32-24(27)22(25-30-20-10-6-7-11-21(20)31(25)2)23-26(32)29-19-9-5-4-8-18(19)28-23/h4-15H,3,27H2,1-2H3
InChIKeyKTXSYRSOTILTLI-UHFFFAOYSA-N
XLogP5.11
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987444
1-(4-ethoxyphenyl)benzimidazol-2-amine
CID 43148828
propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2021301
1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
CID 14117384
1-[2-(2-fluorophenyl)ethyl]-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
CID 4907255
2-amino-1-(4-ethoxyphenyl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3560794
1-(4-ethoxyphenyl)benzimidazole
CID 175001446
ethyl 2-[[2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2376454
ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 1180696
13-[(2S)-butan-2-yl]-17-(4-ethoxyphenyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 2022147
propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2005816
3-(4-ethoxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]benzimidazole
CID 2311113

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine (CID 4971076) is 1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine is CCOc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)c3nc4ccccc4nc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is KTXSYRSOTILTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c1-3-33-17-14-12-16(13-15-17)32-24(27)22(25-30-20-10-6-7-11-21(20)31(25)2)23-26(32)29-19-9-5-4-8-18(19)28-23/h4-15H,3,27H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine?
1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 434.50 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 4971076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).