3-[(3-bromophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine

C14H13BrN4 — CID 81138544

IUPAC3-[(3-bromophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc2nc(N)n(Cc3cccc(Br)c3)c2n1
InChIInChI=1S/C14H13BrN4/c1-9-5-6-12-13(17-9)19(14(16)18-12)8-10-3-2-4-11(15)7-10/h2-7H,8H2,1H3,(H2,16,18)
InChIKeyHOXMVBRJEFERJE-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.13
Rot. Bonds2

About 3-[(3-bromophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine

3-[(3-bromophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 81138544) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID81138544
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name3-[(3-bromophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc2nc(N)n(Cc3cccc(Br)c3)c2n1
InChIInChI=1S/C14H13BrN4/c1-9-5-6-12-13(17-9)19(14(16)18-12)8-10-3-2-4-11(15)7-10/h2-7H,8H2,1H3,(H2,16,18)
InChIKeyHOXMVBRJEFERJE-UHFFFAOYSA-N
XLogP3.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromophenyl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138668
5-methyl-3-(3-phenylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 81138543
5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 81135716
3-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81136141
3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81138929
3-(2,5-dibromophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81138625
6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine
CID 65344818
3-[(3-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79300822
1-[(3-bromophenyl)methyl]-2-cyclopropylbenzimidazol-5-amine
CID 62494124
3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79289581
6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 65345047
3-(4-bromo-2-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81138233

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[(3-bromophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine (CID 81138544) is 3-[(3-bromophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[(3-bromophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine is Cc1ccc2nc(N)n(Cc3cccc(Br)c3)c2n1.
What is the InChIKey of 3-[(3-bromophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is HOXMVBRJEFERJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c1-9-5-6-12-13(17-9)19(14(16)18-12)8-10-3-2-4-11(15)7-10/h2-7H,8H2,1H3,(H2,16,18).
What are the key properties of 3-[(3-bromophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine?
3-[(3-bromophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 317.19 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 81138544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).