4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole

C26H23N3O3 — CID 122378727

IUPAC4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
SMILESCOc1cc(-c2cc(-c3ccc(C)cc3)n3c(n2)nc2ccccc23)cc(OC)c1OC
InChIInChI=1S/C26H23N3O3/c1-16-9-11-17(12-10-16)22-15-20(18-13-23(30-2)25(32-4)24(14-18)31-3)28-26-27-19-7-5-6-8-21(19)29(22)26/h5-15H,1-4H3
InChIKeyRMHNBAMQSUJZND-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.55
Rot. Bonds5

About 4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole

4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole (PubChem CID 122378727) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
PubChem CID122378727
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
SMILESCOc1cc(-c2cc(-c3ccc(C)cc3)n3c(n2)nc2ccccc23)cc(OC)c1OC
InChIInChI=1S/C26H23N3O3/c1-16-9-11-17(12-10-16)22-15-20(18-13-23(30-2)25(32-4)24(14-18)31-3)28-26-27-19-7-5-6-8-21(19)29(22)26/h5-15H,1-4H3
InChIKeyRMHNBAMQSUJZND-UHFFFAOYSA-N
XLogP5.55
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-4-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
CID 132502019
4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole
CID 132502018
4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine
CID 171663395
1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 888632
4-(4-phenanthren-9-ylphenyl)-2-phenylpyrimido[1,2-a]benzimidazole
CID 122503004
2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
CID 122502958
2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
CID 122502940
4-[4-(4-phenylpyrimido[1,2-a]benzimidazol-2-yl)naphthalen-1-yl]benzonitrile
CID 122504593
4-phenylpyrimido[1,2-a]benzimidazol-2-amine
CID 2825239
2-(4-methylphenyl)-4-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]pyrimido[1,2-a]benzimidazole
CID 155511400
2-[4-[3-(benzenesulfinyl)phenyl]naphthalen-1-yl]-4-phenylpyrimido[1,2-a]benzimidazole
CID 122503029
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 627307

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole?
The IUPAC name of 4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole (CID 122378727) is 4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole is COc1cc(-c2cc(-c3ccc(C)cc3)n3c(n2)nc2ccccc23)cc(OC)c1OC.
What is the InChIKey of 4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole?
The InChIKey is RMHNBAMQSUJZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-16-9-11-17(12-10-16)22-15-20(18-13-23(30-2)25(32-4)24(14-18)31-3)28-26-27-19-7-5-6-8-21(19)29(22)26/h5-15H,1-4H3.
What are the key properties of 4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole?
4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole has a molecular weight of 425.49 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 122378727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).