1-[2-(2-fluorophenyl)ethyl]-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine

C26H21FN6 — CID 4907255

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESCn1c(-c2c(N)n(CCc3ccccc3F)c3nc4ccccc4nc23)nc2ccccc21
InChIInChI=1S/C26H21FN6/c1-32-21-13-7-6-12-20(21)31-25(32)22-23-26(30-19-11-5-4-10-18(19)29-23)33(24(22)28)15-14-16-8-2-3-9-17(16)27/h2-13H,14-15,28H2,1H3
InChIKeyIAWONBXXSIUCHY-UHFFFAOYSA-N
MW436.49 g/mol
LogP5.10
Rot. Bonds4

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

1-[2-(2-fluorophenyl)ethyl]-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 4907255) has the molecular formula C26H21FN6 and a molecular weight of 436.49 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID4907255
Molecular FormulaC26H21FN6
Molecular Weight436.49 g/mol
Exact Mass436.18
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESCn1c(-c2c(N)n(CCc3ccccc3F)c3nc4ccccc4nc23)nc2ccccc21
InChIInChI=1S/C26H21FN6/c1-32-21-13-7-6-12-20(21)31-25(32)22-23-26(30-19-11-5-4-10-18(19)29-23)33(24(22)28)15-14-16-8-2-3-9-17(16)27/h2-13H,14-15,28H2,1H3
InChIKeyIAWONBXXSIUCHY-UHFFFAOYSA-N
XLogP5.10
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
CID 14117384
1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
CID 4971076
2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23761862
4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629105
4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine
CID 130289500
1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 886688
2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107602854
1-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole
CID 43510646
6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine
CID 65347258
3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one
CID 135430569
1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 690627
7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337044

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine (CID 4907255) is 1-[2-(2-fluorophenyl)ethyl]-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine is Cn1c(-c2c(N)n(CCc3ccccc3F)c3nc4ccccc4nc23)nc2ccccc21.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is IAWONBXXSIUCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6/c1-32-21-13-7-6-12-20(21)31-25(32)22-23-26(30-19-11-5-4-10-18(19)29-23)33(24(22)28)15-14-16-8-2-3-9-17(16)27/h2-13H,14-15,28H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine?
1-[2-(2-fluorophenyl)ethyl]-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 436.49 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 4907255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).