6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine

C17H17BrClN3 — CID 3900108

IUPAC6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCC(C)(C)Nc1c(-c2ccccc2Cl)nc2ccc(Br)cn12
InChIInChI=1S/C17H17BrClN3/c1-17(2,3)21-16-15(12-6-4-5-7-13(12)19)20-14-9-8-11(18)10-22(14)16/h4-10,21H,1-3H3
InChIKeyKKNKXRRTSRUXPK-UHFFFAOYSA-N
MW378.70 g/mol
LogP5.63
Rot. Bonds2

About 6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine

6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 3900108) has the molecular formula C17H17BrClN3 and a molecular weight of 378.70 g/mol. Its IUPAC name is 6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID3900108
Molecular FormulaC17H17BrClN3
Molecular Weight378.70 g/mol
Exact Mass377.03
IUPAC Name6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCC(C)(C)Nc1c(-c2ccccc2Cl)nc2ccc(Br)cn12
InChIInChI=1S/C17H17BrClN3/c1-17(2,3)21-16-15(12-6-4-5-7-13(12)19)20-14-9-8-11(18)10-22(14)16/h4-10,21H,1-3H3
InChIKeyKKNKXRRTSRUXPK-UHFFFAOYSA-N
XLogP5.63
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.70
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate
CID 154702120
2-[6-bromo-3-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
CID 24821711
2-(2-chlorophenyl)-N-cyclopentyl-6-methylimidazo[1,2-a]pyridin-3-amine
CID 45255941
2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol
CID 858071
6-bromo-2-(2-chlorophenyl)-5-methyl-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 67231334
6-bromo-2-pyridin-3-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 3890399
3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-2-chlorophenol
CID 45268413
6-bromo-2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridine
CID 115403638
2-[3-(4-bromoanilino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 118796411
N-tert-butyl-2-(3-chlorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 809106
N-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-amine
CID 138535998
N-tert-butyl-6-methyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 809305

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine (CID 3900108) is 6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine is CC(C)(C)Nc1c(-c2ccccc2Cl)nc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is KKNKXRRTSRUXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN3/c1-17(2,3)21-16-15(12-6-4-5-7-13(12)19)20-14-9-8-11(18)10-22(14)16/h4-10,21H,1-3H3.
What are the key properties of 6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine?
6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 378.70 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-tert-butyl-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 3900108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).