5-chloro-2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)benzonitrile

C16H13ClN4 — CID 133285740

IUPAC5-chloro-2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)benzonitrile
SMILESN#Cc1cc(Cl)ccc1NCCc1cn2ccccc2n1
InChIInChI=1S/C16H13ClN4/c17-13-4-5-15(12(9-13)10-18)19-7-6-14-11-21-8-2-1-3-16(21)20-14/h1-5,8-9,11,19H,6-7H2
InChIKeyXTZVWDMMFQXZKK-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.51
Rot. Bonds4

About 5-chloro-2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)benzonitrile

5-chloro-2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)benzonitrile (PubChem CID 133285740) has the molecular formula C16H13ClN4 and a molecular weight of 296.76 g/mol. Its IUPAC name is 5-chloro-2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)benzonitrile
PubChem CID133285740
Molecular FormulaC16H13ClN4
Molecular Weight296.76 g/mol
Exact Mass296.08
IUPAC Name5-chloro-2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)benzonitrile
SMILESN#Cc1cc(Cl)ccc1NCCc1cn2ccccc2n1
InChIInChI=1S/C16H13ClN4/c17-13-4-5-15(12(9-13)10-18)19-7-6-14-11-21-8-2-1-3-16(21)20-14/h1-5,8-9,11,19H,6-7H2
InChIKeyXTZVWDMMFQXZKK-UHFFFAOYSA-N
XLogP3.51
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4,6-dimethylpyrimidin-2-amine
CID 31537504
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline
CID 60631945
4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide
CID 31257184
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 2967719
2-imidazo[1,2-a]pyridin-2-ylethanamine
CID 7536516
3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide
CID 25429914
2-(2,4-dichlorophenoxy)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide
CID 25429007
5-chloro-2-[2-(methylamino)ethylamino]benzonitrile
CID 62658191
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine
CID 133436471
2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 7433386
5-chloro-2-[3-(N-methylanilino)propylamino]benzonitrile
CID 63510883
5-chloro-2-[3-(1-methylpyrazol-4-yl)propylamino]benzonitrile
CID 133286162

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)benzonitrile?
The IUPAC name of 5-chloro-2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)benzonitrile (CID 133285740) is 5-chloro-2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)benzonitrile.
What is the SMILES notation for 5-chloro-2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)benzonitrile?
The canonical SMILES for 5-chloro-2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)benzonitrile is N#Cc1cc(Cl)ccc1NCCc1cn2ccccc2n1.
What is the InChIKey of 5-chloro-2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)benzonitrile?
The InChIKey is XTZVWDMMFQXZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4/c17-13-4-5-15(12(9-13)10-18)19-7-6-14-11-21-8-2-1-3-16(21)20-14/h1-5,8-9,11,19H,6-7H2.
What are the key properties of 5-chloro-2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)benzonitrile?
5-chloro-2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)benzonitrile has a molecular weight of 296.76 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)benzonitrile is sourced from PubChem (CID 133285740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).