N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-8,9-dihydropyrimido[1,2-a]benzimidazole-2-carboxamide

C19H16Cl2N4O3 — CID 143705027

IUPACN-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-8,9-dihydropyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCn1c2c(n3c(=O)c(O)c(C(=O)NCc4ccc(Cl)c(Cl)c4)nc13)C=CCC2
InChIInChI=1S/C19H16Cl2N4O3/c1-24-13-4-2-3-5-14(13)25-18(28)16(26)15(23-19(24)25)17(27)22-9-10-6-7-11(20)12(21)8-10/h3,5-8,26H,2,4,9H2,1H3,(H,22,27)
InChIKeyFYHPCAJOHGODKH-UHFFFAOYSA-N
MW419.27 g/mol
LogP2.93
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-8,9-dihydropyrimido[1,2-a]benzimidazole-2-carboxamide

N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-8,9-dihydropyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 143705027) has the molecular formula C19H16Cl2N4O3 and a molecular weight of 419.27 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-8,9-dihydropyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-8,9-dihydropyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID143705027
Molecular FormulaC19H16Cl2N4O3
Molecular Weight419.27 g/mol
Exact Mass418.06
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-8,9-dihydropyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCn1c2c(n3c(=O)c(O)c(C(=O)NCc4ccc(Cl)c(Cl)c4)nc13)C=CCC2
InChIInChI=1S/C19H16Cl2N4O3/c1-24-13-4-2-3-5-14(13)25-18(28)16(26)15(23-19(24)25)17(27)22-9-10-6-7-11(20)12(21)8-10/h3,5-8,26H,2,4,9H2,1H3,(H,22,27)
InChIKeyFYHPCAJOHGODKH-UHFFFAOYSA-N
XLogP2.93
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.27
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-8,9-dihydropyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-8,9-dihydropyrimido[1,2-a]benzimidazole-2-carboxamide (CID 143705027) is N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-8,9-dihydropyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-8,9-dihydropyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-8,9-dihydropyrimido[1,2-a]benzimidazole-2-carboxamide is Cn1c2c(n3c(=O)c(O)c(C(=O)NCc4ccc(Cl)c(Cl)c4)nc13)C=CCC2.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-8,9-dihydropyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is FYHPCAJOHGODKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3/c1-24-13-4-2-3-5-14(13)25-18(28)16(26)15(23-19(24)25)17(27)22-9-10-6-7-11(20)12(21)8-10/h3,5-8,26H,2,4,9H2,1H3,(H,22,27).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-8,9-dihydropyrimido[1,2-a]benzimidazole-2-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-8,9-dihydropyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 419.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-8,9-dihydropyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 143705027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).