ethyl 2-(4-phenylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole-8-carboxylate

C24H24N4O2 — CID 155272485

IUPACethyl 2-(4-phenylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole-8-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc1nc(N3CCC(c4ccccc4)CC3)ccn12
InChIInChI=1S/C24H24N4O2/c1-2-30-23(29)19-8-9-21-20(16-19)25-24-26-22(12-15-28(21)24)27-13-10-18(11-14-27)17-6-4-3-5-7-17/h3-9,12,15-16,18H,2,10-11,13-14H2,1H3
InChIKeyIARZEMAXHGQYCP-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.44
Rot. Bonds4

About ethyl 2-(4-phenylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole-8-carboxylate

ethyl 2-(4-phenylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole-8-carboxylate (PubChem CID 155272485) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is ethyl 2-(4-phenylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-phenylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole-8-carboxylate
PubChem CID155272485
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Nameethyl 2-(4-phenylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole-8-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc1nc(N3CCC(c4ccccc4)CC3)ccn12
InChIInChI=1S/C24H24N4O2/c1-2-30-23(29)19-8-9-21-20(16-19)25-24-26-22(12-15-28(21)24)27-13-10-18(11-14-27)17-6-4-3-5-7-17/h3-9,12,15-16,18H,2,10-11,13-14H2,1H3
InChIKeyIARZEMAXHGQYCP-UHFFFAOYSA-N
XLogP4.44
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1,1-dideuterio-2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethyl] benzoate
CID 155272482
ethyl 3-(1-methylpiperidin-4-yl)benzoate
CID 116988913
2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole
CID 177185485
ethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate
CID 7996375
methyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate
CID 10546679
ethyl 3-cyclopropylquinoline-6-carboxylate
CID 139487727
ethyl 3-benzyl-2-methylbenzimidazole-5-carboxylate
CID 18681119
ethyl 1-phenylbenzimidazole-5-carboxylate
CID 175878732
ethyl 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18680819
ethyl 2-[2-(cycloheptylamino)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate
CID 7845856
ethyl 2-[(1R)-2-ethoxy-2-oxo-1-phenylethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate
CID 7845779
ethyl 2-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564056

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-phenylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole-8-carboxylate?
The IUPAC name of ethyl 2-(4-phenylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole-8-carboxylate (CID 155272485) is ethyl 2-(4-phenylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole-8-carboxylate.
What is the SMILES notation for ethyl 2-(4-phenylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole-8-carboxylate?
The canonical SMILES for ethyl 2-(4-phenylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole-8-carboxylate is CCOC(=O)c1ccc2c(c1)nc1nc(N3CCC(c4ccccc4)CC3)ccn12.
What is the InChIKey of ethyl 2-(4-phenylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole-8-carboxylate?
The InChIKey is IARZEMAXHGQYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-2-30-23(29)19-8-9-21-20(16-19)25-24-26-22(12-15-28(21)24)27-13-10-18(11-14-27)17-6-4-3-5-7-17/h3-9,12,15-16,18H,2,10-11,13-14H2,1H3.
What are the key properties of ethyl 2-(4-phenylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole-8-carboxylate?
ethyl 2-(4-phenylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole-8-carboxylate has a molecular weight of 400.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-phenylpiperidin-1-yl)pyrimido[1,2-a]benzimidazole-8-carboxylate is sourced from PubChem (CID 155272485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).