6-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine

C23H20Cl3N5 — CID 135843993

IUPAC6-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=C(c2nc3cc(Cl)ccc3n2C(C)C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C23H20Cl3N5/c1-12(2)30-19-7-5-15(24)11-18(19)29-23(30)21-13(3)28-20-8-9-27-31(20)22(21)14-4-6-16(25)17(26)10-14/h4-12,22,28H,1-3H3
InChIKeySIJXBIRBKIKAFS-UHFFFAOYSA-N
MW472.81 g/mol
LogP7.22
Rot. Bonds3

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

6-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 135843993) has the molecular formula C23H20Cl3N5 and a molecular weight of 472.81 g/mol. Its IUPAC name is 6-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID135843993
Molecular FormulaC23H20Cl3N5
Molecular Weight472.81 g/mol
Exact Mass471.08
IUPAC Name6-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=C(c2nc3cc(Cl)ccc3n2C(C)C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C23H20Cl3N5/c1-12(2)30-19-7-5-15(24)11-18(19)29-23(30)21-13(3)28-20-8-9-27-31(20)22(21)14-4-6-16(25)17(26)10-14/h4-12,22,28H,1-3H3
InChIKeySIJXBIRBKIKAFS-UHFFFAOYSA-N
XLogP7.22
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.81
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine (CID 135843993) is 6-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine is CC1=C(c2nc3cc(Cl)ccc3n2C(C)C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1.
What is the InChIKey of 6-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is SIJXBIRBKIKAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl3N5/c1-12(2)30-19-7-5-15(24)11-18(19)29-23(30)21-13(3)28-20-8-9-27-31(20)22(21)14-4-6-16(25)17(26)10-14/h4-12,22,28H,1-3H3.
What are the key properties of 6-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
6-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 472.81 g/mol, XLogP of 7.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135843993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).