4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline

C21H17BrN6 — CID 10252276

IUPAC4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCn1c(CNc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)nc2ccccc21
InChIInChI=1S/C21H17BrN6/c1-28-18-5-3-2-4-16(18)25-19(28)12-23-15-8-6-13(7-9-15)20-26-17-10-14(22)11-24-21(17)27-20/h2-11,23H,12H2,1H3,(H,24,26,27)
InChIKeyBESJSEOFXAYOMR-UHFFFAOYSA-N
MW433.31 g/mol
LogP4.89
Rot. Bonds4

About 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline

4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline (PubChem CID 10252276) has the molecular formula C21H17BrN6 and a molecular weight of 433.31 g/mol. Its IUPAC name is 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
PubChem CID10252276
Molecular FormulaC21H17BrN6
Molecular Weight433.31 g/mol
Exact Mass432.07
IUPAC Name4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCn1c(CNc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)nc2ccccc21
InChIInChI=1S/C21H17BrN6/c1-28-18-5-3-2-4-16(18)25-19(28)12-23-15-8-6-13(7-9-15)20-26-17-10-14(22)11-24-21(17)27-20/h2-11,23H,12H2,1H3,(H,24,26,27)
InChIKeyBESJSEOFXAYOMR-UHFFFAOYSA-N
XLogP4.89
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The IUPAC name of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline (CID 10252276) is 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The canonical SMILES for 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline is Cn1c(CNc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)nc2ccccc21.
What is the InChIKey of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The InChIKey is BESJSEOFXAYOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN6/c1-28-18-5-3-2-4-16(18)25-19(28)12-23-15-8-6-13(7-9-15)20-26-17-10-14(22)11-24-21(17)27-20/h2-11,23H,12H2,1H3,(H,24,26,27).
What are the key properties of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline has a molecular weight of 433.31 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 10252276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).