7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine

C21H17Cl2N5 — CID 135843887

IUPAC7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=C(c2nc3c(C)cccc3[nH]2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C21H17Cl2N5/c1-11-4-3-5-16-19(11)27-21(26-16)18-12(2)25-17-8-9-24-28(17)20(18)13-6-7-14(22)15(23)10-13/h3-10,20,25H,1-2H3,(H,26,27)
InChIKeyJZWZOVRMFCFJOE-UHFFFAOYSA-N
MW410.31 g/mol
LogP5.82
Rot. Bonds2

About 7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine

7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 135843887) has the molecular formula C21H17Cl2N5 and a molecular weight of 410.31 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID135843887
Molecular FormulaC21H17Cl2N5
Molecular Weight410.31 g/mol
Exact Mass409.09
IUPAC Name7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=C(c2nc3c(C)cccc3[nH]2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C21H17Cl2N5/c1-11-4-3-5-16-19(11)27-21(26-16)18-12(2)25-17-8-9-24-28(17)20(18)13-6-7-14(22)15(23)10-13/h3-10,20,25H,1-2H3,(H,26,27)
InChIKeyJZWZOVRMFCFJOE-UHFFFAOYSA-N
XLogP5.82
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.31
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-7-(4-(4-chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo(4,5-b)pyridine
CID 71454279
5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-benzimidazol-2-amine
CID 164628551
3-[[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168272821
3-[[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-6-fluoro-1H-indole
CID 168275406
1-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-3-[(3-chlorophenyl)methyl]urea
CID 24764774
1-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-methylphenyl)methyl]urea
CID 24764957
2,3-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766321
3,4-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766323
3-[2-[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 56945132
US11352340, Example 1
CID 129315720
7-(3,4-Dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843672
7-(3,4-Dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843728

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine (CID 135843887) is 7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine is CC1=C(c2nc3c(C)cccc3[nH]2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is JZWZOVRMFCFJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N5/c1-11-4-3-5-16-19(11)27-21(26-16)18-12(2)25-17-8-9-24-28(17)20(18)13-6-7-14(22)15(23)10-13/h3-10,20,25H,1-2H3,(H,26,27).
What are the key properties of 7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 410.31 g/mol, XLogP of 5.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135843887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).