4-chloro-2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N-methylbenzene-1,2-diamine

C15H15ClN4 — CID 107466224

IUPAC4-chloro-2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N-methylbenzene-1,2-diamine
SMILESCN(Cc1cn2ccccc2n1)c1cc(Cl)ccc1N
InChIInChI=1S/C15H15ClN4/c1-19(14-8-11(16)5-6-13(14)17)9-12-10-20-7-3-2-4-15(20)18-12/h2-8,10H,9,17H2,1H3
InChIKeyGVTGHGFWNWTGGS-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.21
Rot. Bonds3

About 4-chloro-2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N-methylbenzene-1,2-diamine

4-chloro-2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N-methylbenzene-1,2-diamine (PubChem CID 107466224) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 4-chloro-2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N-methylbenzene-1,2-diamine
PubChem CID107466224
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name4-chloro-2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N-methylbenzene-1,2-diamine
SMILESCN(Cc1cn2ccccc2n1)c1cc(Cl)ccc1N
InChIInChI=1S/C15H15ClN4/c1-19(14-8-11(16)5-6-13(14)17)9-12-10-20-7-3-2-4-15(20)18-12/h2-8,10H,9,17H2,1H3
InChIKeyGVTGHGFWNWTGGS-UHFFFAOYSA-N
XLogP3.21
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylaniline
CID 62970661
5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline
CID 81175196
N-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 4701920
4-chloro-2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 115468828
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3-dimethylaniline
CID 53171811
4-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]aniline
CID 43458276
[3-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 43248734
imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate
CID 60656920
[2-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 60922596
4-chloro-2-N-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine
CID 113315624
N'-ethyl-N'-(imidazo[1,2-a]pyridin-2-ylmethyl)propane-1,3-diamine
CID 43137193
3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]benzenecarbothioamide
CID 62970898

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N-methylbenzene-1,2-diamine (CID 107466224) is 4-chloro-2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N-methylbenzene-1,2-diamine is CN(Cc1cn2ccccc2n1)c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N-methylbenzene-1,2-diamine?
The InChIKey is GVTGHGFWNWTGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-19(14-8-11(16)5-6-13(14)17)9-12-10-20-7-3-2-4-15(20)18-12/h2-8,10H,9,17H2,1H3.
What are the key properties of 4-chloro-2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N-methylbenzene-1,2-diamine?
4-chloro-2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N-methylbenzene-1,2-diamine has a molecular weight of 286.77 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 107466224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).