imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate

C23H18N4O2 — CID 7171273

IUPACimidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCc1nc2cc(C(=O)OCc3cn4ccccc4n3)ccc2n1-c1ccccc1
InChIInChI=1S/C23H18N4O2/c1-16-24-20-13-17(10-11-21(20)27(16)19-7-3-2-4-8-19)23(28)29-15-18-14-26-12-6-5-9-22(26)25-18/h2-14H,15H2,1H3
InChIKeyOCEPWNMYUIESFZ-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.34
Rot. Bonds4

About imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate

imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate (PubChem CID 7171273) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
PubChem CID7171273
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCc1nc2cc(C(=O)OCc3cn4ccccc4n3)ccc2n1-c1ccccc1
InChIInChI=1S/C23H18N4O2/c1-16-24-20-13-17(10-11-21(20)27(16)19-7-3-2-4-8-19)23(28)29-15-18-14-26-12-6-5-9-22(26)25-18/h2-14H,15H2,1H3
InChIKeyOCEPWNMYUIESFZ-UHFFFAOYSA-N
XLogP4.34
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 55404417
phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043609
(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 55540146
[2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043244
imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate
CID 60655585
imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate
CID 7523277
(2-benzamido-2-oxoethyl) 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 46786678
cyclohexylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171317
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
imidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
CID 7173026
[2-(4-acetamidoanilino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4800585
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043262

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate (CID 7171273) is imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate is Cc1nc2cc(C(=O)OCc3cn4ccccc4n3)ccc2n1-c1ccccc1.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The InChIKey is OCEPWNMYUIESFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-16-24-20-13-17(10-11-21(20)27(16)19-7-3-2-4-8-19)23(28)29-15-18-14-26-12-6-5-9-22(26)25-18/h2-14H,15H2,1H3.
What are the key properties of imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate is sourced from PubChem (CID 7171273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).