4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline

C17H19ClN4 — CID 94758162

IUPAC4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline
SMILESCCCCc1nc2cc(Cl)cnc2n1Cc1ccc(N)cc1
InChIInChI=1S/C17H19ClN4/c1-2-3-4-16-21-15-9-13(18)10-20-17(15)22(16)11-12-5-7-14(19)8-6-12/h5-10H,2-4,11,19H2,1H3
InChIKeyHIDAKOIDPDTFET-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.06
Rot. Bonds5

About 4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline

4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline (PubChem CID 94758162) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline
PubChem CID94758162
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline
SMILESCCCCc1nc2cc(Cl)cnc2n1Cc1ccc(N)cc1
InChIInChI=1S/C17H19ClN4/c1-2-3-4-16-21-15-9-13(18)10-20-17(15)22(16)11-12-5-7-14(19)8-6-12/h5-10H,2-4,11,19H2,1H3
InChIKeyHIDAKOIDPDTFET-UHFFFAOYSA-N
XLogP4.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanamine
CID 94758182
4-[(6-chloro-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
CID 82151478
3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile
CID 82143553
4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid
CID 82070616
4-[(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
CID 82151480
4-[(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]aniline
CID 82150109
2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-amine
CID 3212346
2-[4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 67943935
2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061730
3-benzyl-6-chloro-2-methylimidazo[4,5-b]pyridine
CID 135336062
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166

Frequently Asked Questions

What is the IUPAC name of 4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline?
The IUPAC name of 4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline (CID 94758162) is 4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline.
What is the SMILES notation for 4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline?
The canonical SMILES for 4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline is CCCCc1nc2cc(Cl)cnc2n1Cc1ccc(N)cc1.
What is the InChIKey of 4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline?
The InChIKey is HIDAKOIDPDTFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4/c1-2-3-4-16-21-15-9-13(18)10-20-17(15)22(16)11-12-5-7-14(19)8-6-12/h5-10H,2-4,11,19H2,1H3.
What are the key properties of 4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline?
4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline has a molecular weight of 314.82 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline is sourced from PubChem (CID 94758162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).