chloromethane;3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid

C40H44ClN5O5 — CID 160580569

IUPACchloromethane;3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCl.Cc1ccn2c(C(=O)CCc3ccc4c(c3)CCO4)c(C)nc2c1.Cc1ccn2c(C(=O)O)c(C)nc2c1.NCc1ccc2c(c1)CCO2
InChIInChI=1S/C20H20N2O2.C10H10N2O2.C9H11NO.CH3Cl/c1-13-7-9-22-19(11-13)21-14(2)20(22)17(23)5-3-15-4-6-18-16(12-15)8-10-24-18;1-6-3-4-12-8(5-6)11-7(2)9(12)10(13)14;10-6-7-1-2-9-8(5-7)3-4-11-9;1-2/h4,6-7,9,11-12H,3,5,8,10H2,1-2H3;3-5H,1-2H3,(H,13,14);1-2,5H,3-4,6,10H2;1H3
InChIKeyRBSNILSQLDWYAZ-UHFFFAOYSA-N
MW710.28 g/mol
LogP7.29
Rot. Bonds6

About chloromethane;3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid

chloromethane;3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 160580569) has the molecular formula C40H44ClN5O5 and a molecular weight of 710.28 g/mol. Its IUPAC name is chloromethane;3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Namechloromethane;3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID160580569
Molecular FormulaC40H44ClN5O5
Molecular Weight710.28 g/mol
Exact Mass709.30
IUPAC Namechloromethane;3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCl.Cc1ccn2c(C(=O)CCc3ccc4c(c3)CCO4)c(C)nc2c1.Cc1ccn2c(C(=O)O)c(C)nc2c1.NCc1ccc2c(c1)CCO2
InChIInChI=1S/C20H20N2O2.C10H10N2O2.C9H11NO.CH3Cl/c1-13-7-9-22-19(11-13)21-14(2)20(22)17(23)5-3-15-4-6-18-16(12-15)8-10-24-18;1-6-3-4-12-8(5-6)11-7(2)9(12)10(13)14;10-6-7-1-2-9-8(5-7)3-4-11-9;1-2/h4,6-7,9,11-12H,3,5,8,10H2,1-2H3;3-5H,1-2H3,(H,13,14);1-2,5H,3-4,6,10H2;1H3
InChIKeyRBSNILSQLDWYAZ-UHFFFAOYSA-N
XLogP7.29
TPSA133.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.28
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Benzoylanilino)-3-[4-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methoxy]phenyl]propanoic acid
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Methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(cyclohexylamino)imidazo[1,2-a]pyridine-6-carboxylate
CID 155531454
Methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate
CID 155542812
Ethyl 3-[chloro-(2-fluoro-4-methoxy-3-phenylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate
CID 68797399
Chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine
CID 158415321
Ethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 159613114
Chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethoxy)phenyl]propan-1-one;[3-(trifluoromethoxy)phenyl]methanamine
CID 160781217
5-[[7-[2-[5-[2-Carboxy-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-4-methylpyrimidin-2-yl]cyclopropyl]-5-fluoro-1-benzofuran-4-yl]methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid
CID 171794258
[8-chloro-6-[(2S)-1-[5-[4-[(8-chloroimidazo[1,2-a]pyrazin-3-yl)-hydroxymethyl]-5-fluoro-2-pyridinyl]-3-fluoro-2-methoxyphenyl]propan-2-yl]imidazo[1,2-a]pyrazin-3-yl]-[5-fluoro-2-(3-fluoro-4-methoxyphenyl)-4-pyridinyl]methanone
CID 176553476
Methyl 5-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1-(2-methylpropyl)-3-(pyridine-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26143206
3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-[(1-methylimidazol-4-yl)methyl]decan-1-amine
CID 158267520

Frequently Asked Questions

What is the IUPAC name of chloromethane;3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of chloromethane;3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 160580569) is chloromethane;3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for chloromethane;3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for chloromethane;3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid is CCl.Cc1ccn2c(C(=O)CCc3ccc4c(c3)CCO4)c(C)nc2c1.Cc1ccn2c(C(=O)O)c(C)nc2c1.NCc1ccc2c(c1)CCO2.
What is the InChIKey of chloromethane;3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is RBSNILSQLDWYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2.C10H10N2O2.C9H11NO.CH3Cl/c1-13-7-9-22-19(11-13)21-14(2)20(22)17(23)5-3-15-4-6-18-16(12-15)8-10-24-18;1-6-3-4-12-8(5-6)11-7(2)9(12)10(13)14;10-6-7-1-2-9-8(5-7)3-4-11-9;1-2/h4,6-7,9,11-12H,3,5,8,10H2,1-2H3;3-5H,1-2H3,(H,13,14);1-2,5H,3-4,6,10H2;1H3.
What are the key properties of chloromethane;3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid?
chloromethane;3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 710.28 g/mol, XLogP of 7.29, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 160580569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).