(4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole

C25H23N3 — CID 136667879

IUPAC(4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESCCc1ccc(C2=C[C@H](c3ccccc3C)n3c(nc4ccccc43)N2)cc1
InChIInChI=1S/C25H23N3/c1-3-18-12-14-19(15-13-18)22-16-24(20-9-5-4-8-17(20)2)28-23-11-7-6-10-21(23)26-25(28)27-22/h4-16,24H,3H2,1-2H3,(H,26,27)/t24-/m1/s1
InChIKeyIXFNDMYEFDRLJH-XMMPIXPASA-N
MW365.48 g/mol
LogP5.96
Rot. Bonds3

About (4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole

(4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole (PubChem CID 136667879) has the molecular formula C25H23N3 and a molecular weight of 365.48 g/mol. Its IUPAC name is (4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name(4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
PubChem CID136667879
Molecular FormulaC25H23N3
Molecular Weight365.48 g/mol
Exact Mass365.19
IUPAC Name(4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESCCc1ccc(C2=C[C@H](c3ccccc3C)n3c(nc4ccccc43)N2)cc1
InChIInChI=1S/C25H23N3/c1-3-18-12-14-19(15-13-18)22-16-24(20-9-5-4-8-17(20)2)28-23-11-7-6-10-21(23)26-25(28)27-22/h4-16,24H,3H2,1-2H3,(H,26,27)/t24-/m1/s1
InChIKeyIXFNDMYEFDRLJH-XMMPIXPASA-N
XLogP5.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-(4-chlorophenyl)-4-(4-ethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136667921
(4R)-2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136790394
(4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 1327806
(4S)-4-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136882596
4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 3357002
(4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136902560
4-(2,3-dimethoxyphenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 4198425
2-(4-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 4976973
(4R)-2-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136715249
(4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 135682744
(4S)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136856790
(4R)-4-(4-bromophenyl)-2-(3,4-dimethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136856789

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
The IUPAC name of (4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole (CID 136667879) is (4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for (4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for (4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole is CCc1ccc(C2=C[C@H](c3ccccc3C)n3c(nc4ccccc43)N2)cc1.
What is the InChIKey of (4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
The InChIKey is IXFNDMYEFDRLJH-XMMPIXPASA-N. The full InChI is InChI=1S/C25H23N3/c1-3-18-12-14-19(15-13-18)22-16-24(20-9-5-4-8-17(20)2)28-23-11-7-6-10-21(23)26-25(28)27-22/h4-16,24H,3H2,1-2H3,(H,26,27)/t24-/m1/s1.
What are the key properties of (4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
(4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole has a molecular weight of 365.48 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-ethylphenyl)-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 136667879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).