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

C26H24N4O3 — CID 15988601

IUPACN-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
SMILESCOc1cccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc4ccccc4n32)c1
InChIInChI=1S/C26H24N4O3/c1-16-23(25(31)28-20-12-5-7-14-22(20)33-3)24(17-9-8-10-18(15-17)32-2)30-21-13-6-4-11-19(21)29-26(30)27-16/h4-15,24H,1-3H3,(H,27,29)(H,28,31)
InChIKeyBMOZRXAWPVJNGG-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.98
Rot. Bonds5

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

N-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide (PubChem CID 15988601) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
PubChem CID15988601
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
SMILESCOc1cccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc4ccccc4n32)c1
InChIInChI=1S/C26H24N4O3/c1-16-23(25(31)28-20-12-5-7-14-22(20)33-3)24(17-9-8-10-18(15-17)32-2)30-21-13-6-4-11-19(21)29-26(30)27-16/h4-15,24H,1-3H3,(H,27,29)(H,28,31)
InChIKeyBMOZRXAWPVJNGG-UHFFFAOYSA-N
XLogP4.98
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide (CID 15988601) is N-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide is COc1cccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc4ccccc4n32)c1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is BMOZRXAWPVJNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-16-23(25(31)28-20-12-5-7-14-22(20)33-3)24(17-9-8-10-18(15-17)32-2)30-21-13-6-4-11-19(21)29-26(30)27-16/h4-15,24H,1-3H3,(H,27,29)(H,28,31).
What are the key properties of N-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide?
N-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 15988601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).