(4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole

C22H15Cl2N3 — CID 135682744

IUPAC(4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESClc1ccc([C@H]2C=C(c3ccccc3)Nc3nc4ccccc4n32)c(Cl)c1
InChIInChI=1S/C22H15Cl2N3/c23-15-10-11-16(17(24)12-15)21-13-19(14-6-2-1-3-7-14)26-22-25-18-8-4-5-9-20(18)27(21)22/h1-13,21H,(H,25,26)/t21-/m1/s1
InChIKeyDSGAVVVLIQYDTB-OAQYLSRUSA-N
MW392.29 g/mol
LogP6.40
Rot. Bonds2

About (4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole

(4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole (PubChem CID 135682744) has the molecular formula C22H15Cl2N3 and a molecular weight of 392.29 g/mol. Its IUPAC name is (4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name(4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
PubChem CID135682744
Molecular FormulaC22H15Cl2N3
Molecular Weight392.29 g/mol
Exact Mass391.06
IUPAC Name(4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESClc1ccc([C@H]2C=C(c3ccccc3)Nc3nc4ccccc4n32)c(Cl)c1
InChIInChI=1S/C22H15Cl2N3/c23-15-10-11-16(17(24)12-15)21-13-19(14-6-2-1-3-7-14)26-22-25-18-8-4-5-9-20(18)27(21)22/h1-13,21H,(H,25,26)/t21-/m1/s1
InChIKeyDSGAVVVLIQYDTB-OAQYLSRUSA-N
XLogP6.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.29
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 3357002
(4S)-4-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136824895
(4R)-2-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136902560
(4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 1327806
(4S)-4-(2-chloro-6-fluorophenyl)-2-(4-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136668102
(7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136904867
(4R)-2-(3-bromophenyl)-4-(2-chloro-6-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136824894
(7R)-7-(2,4-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 708822
4-(2-chloro-6-fluorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 4165235
(4S)-4-(4-bromophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 135682715
7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3526004
(4S)-2-(4-chlorophenyl)-4-(4-ethylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 136667921

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole?
The IUPAC name of (4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole (CID 135682744) is (4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for (4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for (4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole is Clc1ccc([C@H]2C=C(c3ccccc3)Nc3nc4ccccc4n32)c(Cl)c1.
What is the InChIKey of (4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole?
The InChIKey is DSGAVVVLIQYDTB-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H15Cl2N3/c23-15-10-11-16(17(24)12-15)21-13-19(14-6-2-1-3-7-14)26-22-25-18-8-4-5-9-20(18)27(21)22/h1-13,21H,(H,25,26)/t21-/m1/s1.
What are the key properties of (4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole?
(4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole has a molecular weight of 392.29 g/mol, XLogP of 6.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 135682744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).