4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide

C25H21FN4O2 — CID 15999903

IUPAC4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccccc1F
InChIInChI=1S/C25H21FN4O2/c1-15-22(24(31)28-19-12-6-8-14-21(19)32-2)23(16-9-3-4-10-17(16)26)30-20-13-7-5-11-18(20)29-25(30)27-15/h3-14,23H,1-2H3,(H,27,29)(H,28,31)
InChIKeyMRSDYMYHPHCCHU-UHFFFAOYSA-N
MW428.47 g/mol
LogP5.11
Rot. Bonds4

About 4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide

4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide (PubChem CID 15999903) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
PubChem CID15999903
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC Name4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccccc1F
InChIInChI=1S/C25H21FN4O2/c1-15-22(24(31)28-19-12-6-8-14-21(19)32-2)23(16-9-3-4-10-17(16)26)30-20-13-7-5-11-18(20)29-25(30)27-15/h3-14,23H,1-2H3,(H,27,29)(H,28,31)
InChIKeyMRSDYMYHPHCCHU-UHFFFAOYSA-N
XLogP5.11
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide (CID 15999903) is 4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is MRSDYMYHPHCCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c1-15-22(24(31)28-19-12-6-8-14-21(19)32-2)23(16-9-3-4-10-17(16)26)30-20-13-7-5-11-18(20)29-25(30)27-15/h3-14,23H,1-2H3,(H,27,29)(H,28,31).
What are the key properties of 4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 15999903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).