(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate

C24H18N4O3 — CID 55404417

IUPAC(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCc1nc2cc(C(=O)OCc3cc(=O)n4ccccc4n3)ccc2n1-c1ccccc1
InChIInChI=1S/C24H18N4O3/c1-16-25-20-13-17(10-11-21(20)28(16)19-7-3-2-4-8-19)24(30)31-15-18-14-23(29)27-12-6-5-9-22(27)26-18/h2-14H,15H2,1H3
InChIKeyQTGJFUFVFVBNLZ-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.70
Rot. Bonds4

About (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate

(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate (PubChem CID 55404417) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Name(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
PubChem CID55404417
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCc1nc2cc(C(=O)OCc3cc(=O)n4ccccc4n3)ccc2n1-c1ccccc1
InChIInChI=1S/C24H18N4O3/c1-16-25-20-13-17(10-11-21(20)28(16)19-7-3-2-4-8-19)24(30)31-15-18-14-23(29)27-12-6-5-9-22(27)26-18/h2-14H,15H2,1H3
InChIKeyQTGJFUFVFVBNLZ-UHFFFAOYSA-N
XLogP3.70
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171273
phenacyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043609
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl thiophene-3-carboxylate
CID 17471308
(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 55540146
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzoylbenzoate
CID 17424407
[2-(diethylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7043244
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 40672722
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-butoxy-3-methoxybenzoate
CID 55405276
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-methoxy-4-prop-2-enoxybenzoate
CID 55460240
(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

Frequently Asked Questions

What is the IUPAC name of (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The IUPAC name of (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate (CID 55404417) is (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate.
What is the SMILES notation for (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The canonical SMILES for (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate is Cc1nc2cc(C(=O)OCc3cc(=O)n4ccccc4n3)ccc2n1-c1ccccc1.
What is the InChIKey of (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The InChIKey is QTGJFUFVFVBNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c1-16-25-20-13-17(10-11-21(20)28(16)19-7-3-2-4-8-19)24(30)31-15-18-14-23(29)27-12-6-5-9-22(27)26-18/h2-14H,15H2,1H3.
What are the key properties of (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate?
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate has a molecular weight of 410.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate is sourced from PubChem (CID 55404417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).