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

C16H13BrN6 — CID 10339059

IUPAC4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-(1H-imidazol-2-ylmethyl)aniline
SMILESBrc1cnc2nc(-c3ccc(NCc4ncc[nH]4)cc3)[nH]c2c1
InChIInChI=1S/C16H13BrN6/c17-11-7-13-16(21-8-11)23-15(22-13)10-1-3-12(4-2-10)20-9-14-18-5-6-19-14/h1-8,20H,9H2,(H,18,19)(H,21,22,23)
InChIKeyYCPSSMRWPPIJDB-UHFFFAOYSA-N
MW369.23 g/mol
LogP3.72
Rot. Bonds4

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

4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-(1H-imidazol-2-ylmethyl)aniline (PubChem CID 10339059) has the molecular formula C16H13BrN6 and a molecular weight of 369.23 g/mol. Its IUPAC name is 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-(1H-imidazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-(1H-imidazol-2-ylmethyl)aniline
PubChem CID10339059
Molecular FormulaC16H13BrN6
Molecular Weight369.23 g/mol
Exact Mass368.04
IUPAC Name4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-(1H-imidazol-2-ylmethyl)aniline
SMILESBrc1cnc2nc(-c3ccc(NCc4ncc[nH]4)cc3)[nH]c2c1
InChIInChI=1S/C16H13BrN6/c17-11-7-13-16(21-8-11)23-15(22-13)10-1-3-12(4-2-10)20-9-14-18-5-6-19-14/h1-8,20H,9H2,(H,18,19)(H,21,22,23)
InChIKeyYCPSSMRWPPIJDB-UHFFFAOYSA-N
XLogP3.72
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-(1H-imidazol-2-ylmethyl)aniline?
The IUPAC name of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-(1H-imidazol-2-ylmethyl)aniline (CID 10339059) is 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-(1H-imidazol-2-ylmethyl)aniline.
What is the SMILES notation for 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-(1H-imidazol-2-ylmethyl)aniline?
The canonical SMILES for 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-(1H-imidazol-2-ylmethyl)aniline is Brc1cnc2nc(-c3ccc(NCc4ncc[nH]4)cc3)[nH]c2c1.
What is the InChIKey of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-(1H-imidazol-2-ylmethyl)aniline?
The InChIKey is YCPSSMRWPPIJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN6/c17-11-7-13-16(21-8-11)23-15(22-13)10-1-3-12(4-2-10)20-9-14-18-5-6-19-14/h1-8,20H,9H2,(H,18,19)(H,21,22,23).
What are the key properties of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-(1H-imidazol-2-ylmethyl)aniline?
4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-(1H-imidazol-2-ylmethyl)aniline has a molecular weight of 369.23 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-(1H-imidazol-2-ylmethyl)aniline is sourced from PubChem (CID 10339059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).