ethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate

C16H14ClN3O2 — CID 34314660

IUPACethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate
SMILESCCOC(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn12
InChIInChI=1S/C16H14ClN3O2/c1-2-22-16(21)19-15-14(11-6-4-3-5-7-11)18-13-9-8-12(17)10-20(13)15/h3-10H,2H2,1H3,(H,19,21)
InChIKeyDWJWKSPLHTYCPZ-UHFFFAOYSA-N
MW315.76 g/mol
LogP4.22
Rot. Bonds3

About ethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate

ethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate (PubChem CID 34314660) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is ethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate
PubChem CID34314660
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Nameethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate
SMILESCCOC(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn12
InChIInChI=1S/C16H14ClN3O2/c1-2-22-16(21)19-15-14(11-6-4-3-5-7-11)18-13-9-8-12(17)10-20(13)15/h3-10H,2H2,1H3,(H,19,21)
InChIKeyDWJWKSPLHTYCPZ-UHFFFAOYSA-N
XLogP4.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate
CID 10479731
ethyl 2-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 808619
ethyl N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]carbamate
CID 23938620
5-bromo-N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)pyridine-3-carboxamide
CID 16559398
N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(2-propoxyphenoxy)acetamide
CID 16559413
6-chloro-N-(2-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 6952225
N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenoxypropanamide
CID 18272044
ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 58911903
2-methyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 965390
6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82056527
[6-chloro-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 39132848
ethyl 2-[[2-[4-(4-tert-butylphenyl)sulfonyloxyphenyl]-6-chloroimidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 3416173

Frequently Asked Questions

What is the IUPAC name of ethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate?
The IUPAC name of ethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate (CID 34314660) is ethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate.
What is the SMILES notation for ethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate?
The canonical SMILES for ethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate is CCOC(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn12.
What is the InChIKey of ethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate?
The InChIKey is DWJWKSPLHTYCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-2-22-16(21)19-15-14(11-6-4-3-5-7-11)18-13-9-8-12(17)10-20(13)15/h3-10H,2H2,1H3,(H,19,21).
What are the key properties of ethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate?
ethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate has a molecular weight of 315.76 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate is sourced from PubChem (CID 34314660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).