(4R)-N-(2-methoxyphenyl)-2-oxo-1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide

C24H21N5O3 — CID 51802221

IUPAC(4R)-N-(2-methoxyphenyl)-2-oxo-1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)c2nc3ccccc3n21
InChIInChI=1S/C24H21N5O3/c1-32-21-12-5-3-10-18(21)26-23(31)20-14-22(30)28(15-16-8-6-7-13-25-16)24-27-17-9-2-4-11-19(17)29(20)24/h2-13,20H,14-15H2,1H3,(H,26,31)/t20-/m1/s1
InChIKeyFRTMFQDMMKAJQU-HXUWFJFHSA-N
MW427.46 g/mol
LogP3.56
Rot. Bonds5

About (4R)-N-(2-methoxyphenyl)-2-oxo-1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide

(4R)-N-(2-methoxyphenyl)-2-oxo-1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide (PubChem CID 51802221) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is (4R)-N-(2-methoxyphenyl)-2-oxo-1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(2-methoxyphenyl)-2-oxo-1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide
PubChem CID51802221
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name(4R)-N-(2-methoxyphenyl)-2-oxo-1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)c2nc3ccccc3n21
InChIInChI=1S/C24H21N5O3/c1-32-21-12-5-3-10-18(21)26-23(31)20-14-22(30)28(15-16-8-6-7-13-25-16)24-27-17-9-2-4-11-19(17)29(20)24/h2-13,20H,14-15H2,1H3,(H,26,31)/t20-/m1/s1
InChIKeyFRTMFQDMMKAJQU-HXUWFJFHSA-N
XLogP3.56
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2-methoxyphenyl)-2-oxo-1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of (4R)-N-(2-methoxyphenyl)-2-oxo-1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide (CID 51802221) is (4R)-N-(2-methoxyphenyl)-2-oxo-1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for (4R)-N-(2-methoxyphenyl)-2-oxo-1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for (4R)-N-(2-methoxyphenyl)-2-oxo-1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide is COc1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)c2nc3ccccc3n21.
What is the InChIKey of (4R)-N-(2-methoxyphenyl)-2-oxo-1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is FRTMFQDMMKAJQU-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-32-21-12-5-3-10-18(21)26-23(31)20-14-22(30)28(15-16-8-6-7-13-25-16)24-27-17-9-2-4-11-19(17)29(20)24/h2-13,20H,14-15H2,1H3,(H,26,31)/t20-/m1/s1.
What are the key properties of (4R)-N-(2-methoxyphenyl)-2-oxo-1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide?
(4R)-N-(2-methoxyphenyl)-2-oxo-1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2-methoxyphenyl)-2-oxo-1-(pyridin-2-ylmethyl)-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 51802221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).