N-benzyl-3,4-dichloro-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide

C28H21Cl2N3O — CID 44536078

IUPACN-benzyl-3,4-dichloro-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESCc1ccn2c(N(Cc3ccccc3)C(=O)c3ccc(Cl)c(Cl)c3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C28H21Cl2N3O/c1-19-14-15-32-25(16-19)31-26(21-10-6-3-7-11-21)27(32)33(18-20-8-4-2-5-9-20)28(34)22-12-13-23(29)24(30)17-22/h2-17H,18H2,1H3
InChIKeyVLPSGDJMQDXELY-UHFFFAOYSA-N
MW486.40 g/mol
LogP7.46
Rot. Bonds5

About N-benzyl-3,4-dichloro-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide

N-benzyl-3,4-dichloro-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide (PubChem CID 44536078) has the molecular formula C28H21Cl2N3O and a molecular weight of 486.40 g/mol. Its IUPAC name is N-benzyl-3,4-dichloro-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-3,4-dichloro-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
PubChem CID44536078
Molecular FormulaC28H21Cl2N3O
Molecular Weight486.40 g/mol
Exact Mass485.11
IUPAC NameN-benzyl-3,4-dichloro-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESCc1ccn2c(N(Cc3ccccc3)C(=O)c3ccc(Cl)c(Cl)c3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C28H21Cl2N3O/c1-19-14-15-32-25(16-19)31-26(21-10-6-3-7-11-21)27(32)33(18-20-8-4-2-5-9-20)28(34)22-12-13-23(29)24(30)17-22/h2-17H,18H2,1H3
InChIKeyVLPSGDJMQDXELY-UHFFFAOYSA-N
XLogP7.46
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.40
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Alpidem
CID 54897
Saripidem
CID 3058746
CB 34
CID 6603782
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748028
N-Butyl-2-[6,8-dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-N-methyl-acetamide
CID 11201082
2-[6,8-Dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenyl-acetamide
CID 11328255
1-(3,4-Dichlorobenzyl)-2-Methyl-N-[(1r)-1-Phenylpropyl]-1h-Benzimidazole-5-Carboxamide
CID 44132499
6-chloro-N-[[4-(4-chlorophenyl)phenyl]methyl]-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 53469216
(2,3-Dichlorophenyl)(1-((4,4-difluoropiperidin-1-yl)methyl)imidazo[1,5-a]pyridin-3-yl)methanone
CID 54582173
US9738640, Example 1
CID 90479835
N-Butyl-2-(6,8-dichloro-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N-methyl-acetamide
CID 11211461
N-Benzyl-2-[6,8-dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-N-methyl-acetamide
CID 11442517

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4-dichloro-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide?
The IUPAC name of N-benzyl-3,4-dichloro-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide (CID 44536078) is N-benzyl-3,4-dichloro-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide.
What is the SMILES notation for N-benzyl-3,4-dichloro-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide?
The canonical SMILES for N-benzyl-3,4-dichloro-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide is Cc1ccn2c(N(Cc3ccccc3)C(=O)c3ccc(Cl)c(Cl)c3)c(-c3ccccc3)nc2c1.
What is the InChIKey of N-benzyl-3,4-dichloro-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide?
The InChIKey is VLPSGDJMQDXELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21Cl2N3O/c1-19-14-15-32-25(16-19)31-26(21-10-6-3-7-11-21)27(32)33(18-20-8-4-2-5-9-20)28(34)22-12-13-23(29)24(30)17-22/h2-17H,18H2,1H3.
What are the key properties of N-benzyl-3,4-dichloro-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide?
N-benzyl-3,4-dichloro-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide has a molecular weight of 486.40 g/mol, XLogP of 7.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4-dichloro-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide is sourced from PubChem (CID 44536078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).