2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline

C15H13Cl2N3 — CID 104726088

IUPAC2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline
SMILESCc1cc(Cl)c(NCc2cn3ccccc3n2)cc1Cl
InChIInChI=1S/C15H13Cl2N3/c1-10-6-13(17)14(7-12(10)16)18-8-11-9-20-5-3-2-4-15(20)19-11/h2-7,9,18H,8H2,1H3
InChIKeySPCNNOXPKWUPPH-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.56
Rot. Bonds3

About 2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline

2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline (PubChem CID 104726088) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is 2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline.

Molecular Properties

Compound Name2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline
PubChem CID104726088
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC Name2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline
SMILESCc1cc(Cl)c(NCc2cn3ccccc3n2)cc1Cl
InChIInChI=1S/C15H13Cl2N3/c1-10-6-13(17)14(7-12(10)16)18-8-11-9-20-5-3-2-4-15(20)19-11/h2-7,9,18H,8H2,1H3
InChIKeySPCNNOXPKWUPPH-UHFFFAOYSA-N
XLogP4.56
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methylaniline
CID 103768036
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 2967719
4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline
CID 55118825
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4,6-dimethylpyridin-2-amine
CID 4702007
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-phenylaniline
CID 43825852
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-2-amine
CID 28586618
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline
CID 60631945
5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 102847163
N-(imidazo[1,2-a]pyridin-2-ylmethyl)naphthalen-2-amine
CID 43400804
2-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-methylaniline
CID 107634826
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine
CID 59380864
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline
CID 60671510

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline?
The IUPAC name of 2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline (CID 104726088) is 2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline.
What is the SMILES notation for 2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline?
The canonical SMILES for 2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline is Cc1cc(Cl)c(NCc2cn3ccccc3n2)cc1Cl.
What is the InChIKey of 2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline?
The InChIKey is SPCNNOXPKWUPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c1-10-6-13(17)14(7-12(10)16)18-8-11-9-20-5-3-2-4-15(20)19-11/h2-7,9,18H,8H2,1H3.
What are the key properties of 2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline?
2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline has a molecular weight of 306.20 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline is sourced from PubChem (CID 104726088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).