2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide

C20H17Cl2N5O — CID 57001168

IUPAC2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
SMILESCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1CCn1ccnc1
InChIInChI=1S/C20H17Cl2N5O/c1-13-17(7-10-26-11-8-23-12-26)27-9-3-6-16(19(27)24-13)25-20(28)18-14(21)4-2-5-15(18)22/h2-6,8-9,11-12H,7,10H2,1H3,(H,25,28)
InChIKeyNDKUELCSLHISTE-UHFFFAOYSA-N
MW414.30 g/mol
LogP4.64
Rot. Bonds5

About 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide

2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide (PubChem CID 57001168) has the molecular formula C20H17Cl2N5O and a molecular weight of 414.30 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
PubChem CID57001168
Molecular FormulaC20H17Cl2N5O
Molecular Weight414.30 g/mol
Exact Mass413.08
IUPAC Name2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
SMILESCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1CCn1ccnc1
InChIInChI=1S/C20H17Cl2N5O/c1-13-17(7-10-26-11-8-23-12-26)27-9-3-6-16(19(27)24-13)25-20(28)18-14(21)4-2-5-15(18)22/h2-6,8-9,11-12H,7,10H2,1H3,(H,25,28)
InChIKeyNDKUELCSLHISTE-UHFFFAOYSA-N
XLogP4.64
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
CID 54570152
2,6-dichloro-N-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
CID 54237289
2,6-dichloro-N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
CID 67767428
[8-[(2,6-dichlorobenzoyl)amino]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl acetate
CID 57093826
2,6-dichloro-N-[2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[1,2-a]pyridin-8-yl]benzamide
CID 54015598
2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide
CID 57028334
2,6-dichloro-N-[2-methyl-3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
CID 67767729
8-[(2,6-dichlorobenzoyl)amino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 54366359
2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride
CID 67767652
N-[3-[1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide
CID 67768136
ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 57020246
2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide
CID 139782597

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide (CID 57001168) is 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide is Cc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1CCn1ccnc1.
What is the InChIKey of 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide?
The InChIKey is NDKUELCSLHISTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5O/c1-13-17(7-10-26-11-8-23-12-26)27-9-3-6-16(19(27)24-13)25-20(28)18-14(21)4-2-5-15(18)22/h2-6,8-9,11-12H,7,10H2,1H3,(H,25,28).
What are the key properties of 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide?
2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide has a molecular weight of 414.30 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 57001168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).