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

C25H20N6 — CID 14117384

IUPAC1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESCn1c(-c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc23)nc2ccccc21
InChIInChI=1S/C25H20N6/c1-30-20-14-8-7-13-19(20)29-24(30)21-22-25(28-18-12-6-5-11-17(18)27-22)31(23(21)26)15-16-9-3-2-4-10-16/h2-14H,15,26H2,1H3
InChIKeySFXKACWIHBMEMZ-UHFFFAOYSA-N
MW404.48 g/mol
LogP4.77
Rot. Bonds3

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

1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 14117384) has the molecular formula C25H20N6 and a molecular weight of 404.48 g/mol. Its IUPAC name is 1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID14117384
Molecular FormulaC25H20N6
Molecular Weight404.48 g/mol
Exact Mass404.17
IUPAC Name1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESCn1c(-c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc23)nc2ccccc21
InChIInChI=1S/C25H20N6/c1-30-20-14-8-7-13-19(20)29-24(30)21-22-25(28-18-12-6-5-11-17(18)27-22)31(23(21)26)15-16-9-3-2-4-10-16/h2-14H,15,26H2,1H3
InChIKeySFXKACWIHBMEMZ-UHFFFAOYSA-N
XLogP4.77
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-fluorophenyl)ethyl]-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
CID 4907255
1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
CID 4971076
6-benzyl-9-methylindolo[3,2-b]quinoxaline
CID 753384
4-[3-[2-methyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl]morpholine
CID 130289500
1-benzyl-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 3982843
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
6-amino-7-(1-benzylbenzimidazol-2-yl)-5-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 2790133
2-(2,6-dibromophenyl)-1-methylbenzimidazole
CID 130205790
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
6-[(4-propan-2-ylphenyl)methyl]indolo[3,2-b]quinoxaline
CID 23411133
3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine
CID 23853277
1-benzyl-2-chlorobenzimidazole
CID 3821987

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine (CID 14117384) is 1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine is Cn1c(-c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc23)nc2ccccc21.
What is the InChIKey of 1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is SFXKACWIHBMEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6/c1-30-20-14-8-7-13-19(20)29-24(30)21-22-25(28-18-12-6-5-11-17(18)27-22)31(23(21)26)15-16-9-3-2-4-10-16/h2-14H,15,26H2,1H3.
What are the key properties of 1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine?
1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 404.48 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 14117384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).