N-[2-(3,4-dichlorophenyl)-2-methylpropyl]imidazo[1,2-a]pyridin-6-amine

C17H17Cl2N3 — CID 170578783

IUPACN-[2-(3,4-dichlorophenyl)-2-methylpropyl]imidazo[1,2-a]pyridin-6-amine
SMILESCC(C)(CNc1ccc2nccn2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3/c1-17(2,12-3-5-14(18)15(19)9-12)11-21-13-4-6-16-20-7-8-22(16)10-13/h3-10,21H,11H2,1-2H3
InChIKeyVZGAPEIZSAZFJM-UHFFFAOYSA-N
MW334.25 g/mol
LogP5.03
Rot. Bonds4

About N-[2-(3,4-dichlorophenyl)-2-methylpropyl]imidazo[1,2-a]pyridin-6-amine

N-[2-(3,4-dichlorophenyl)-2-methylpropyl]imidazo[1,2-a]pyridin-6-amine (PubChem CID 170578783) has the molecular formula C17H17Cl2N3 and a molecular weight of 334.25 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-2-methylpropyl]imidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-2-methylpropyl]imidazo[1,2-a]pyridin-6-amine
PubChem CID170578783
Molecular FormulaC17H17Cl2N3
Molecular Weight334.25 g/mol
Exact Mass333.08
IUPAC NameN-[2-(3,4-dichlorophenyl)-2-methylpropyl]imidazo[1,2-a]pyridin-6-amine
SMILESCC(C)(CNc1ccc2nccn2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3/c1-17(2,12-3-5-14(18)15(19)9-12)11-21-13-4-6-16-20-7-8-22(16)10-13/h3-10,21H,11H2,1-2H3
InChIKeyVZGAPEIZSAZFJM-UHFFFAOYSA-N
XLogP5.03
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.25
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]imidazo[1,2-a]pyridin-6-amine?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]imidazo[1,2-a]pyridin-6-amine (CID 170578783) is N-[2-(3,4-dichlorophenyl)-2-methylpropyl]imidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]imidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]imidazo[1,2-a]pyridin-6-amine is CC(C)(CNc1ccc2nccn2c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]imidazo[1,2-a]pyridin-6-amine?
The InChIKey is VZGAPEIZSAZFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3/c1-17(2,12-3-5-14(18)15(19)9-12)11-21-13-4-6-16-20-7-8-22(16)10-13/h3-10,21H,11H2,1-2H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]imidazo[1,2-a]pyridin-6-amine?
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]imidazo[1,2-a]pyridin-6-amine has a molecular weight of 334.25 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]imidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 170578783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).