4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole

C18H17N3O — CID 3074967

IUPAC4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESCOc1ccc(C2C=C(C)Nc3nc4ccccc4n32)cc1
InChIInChI=1S/C18H17N3O/c1-12-11-17(13-7-9-14(22-2)10-8-13)21-16-6-4-3-5-15(16)20-18(21)19-12/h3-11,17H,1-2H3,(H,19,20)
InChIKeyAALMRCUSSDYMBE-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.96
Rot. Bonds2

About 4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole

4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole (PubChem CID 3074967) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole
PubChem CID3074967
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESCOc1ccc(C2C=C(C)Nc3nc4ccccc4n32)cc1
InChIInChI=1S/C18H17N3O/c1-12-11-17(13-7-9-14(22-2)10-8-13)21-16-6-4-3-5-15(16)20-18(21)19-12/h3-11,17H,1-2H3,(H,19,20)
InChIKeyAALMRCUSSDYMBE-UHFFFAOYSA-N
XLogP3.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole (CID 3074967) is 4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole is COc1ccc(C2C=C(C)Nc3nc4ccccc4n32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole?
The InChIKey is AALMRCUSSDYMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-11-17(13-7-9-14(22-2)10-8-13)21-16-6-4-3-5-15(16)20-18(21)19-12/h3-11,17H,1-2H3,(H,19,20).
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole?
4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole has a molecular weight of 291.35 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 3074967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).