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

C20H15Cl2N5 — CID 135843988

IUPAC6-(1H-benzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=C(c2nc3ccccc3[nH]2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C20H15Cl2N5/c1-11-18(20-25-15-4-2-3-5-16(15)26-20)19(27-17(24-11)8-9-23-27)12-6-7-13(21)14(22)10-12/h2-10,19,24H,1H3,(H,25,26)
InChIKeyMXONQYJDHGYYJC-UHFFFAOYSA-N
MW396.28 g/mol
LogP5.51
Rot. Bonds2

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

6-(1H-benzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 135843988) has the molecular formula C20H15Cl2N5 and a molecular weight of 396.28 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID135843988
Molecular FormulaC20H15Cl2N5
Molecular Weight396.28 g/mol
Exact Mass395.07
IUPAC Name6-(1H-benzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=C(c2nc3ccccc3[nH]2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C20H15Cl2N5/c1-11-18(20-25-15-4-2-3-5-16(15)26-20)19(27-17(24-11)8-9-23-27)12-6-7-13(21)14(22)10-12/h2-10,19,24H,1H3,(H,25,26)
InChIKeyMXONQYJDHGYYJC-UHFFFAOYSA-N
XLogP5.51
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(1H-benzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine (CID 135843988) is 6-(1H-benzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(1H-benzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(1H-benzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine is CC1=C(c2nc3ccccc3[nH]2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1.
What is the InChIKey of 6-(1H-benzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is MXONQYJDHGYYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5/c1-11-18(20-25-15-4-2-3-5-16(15)26-20)19(27-17(24-11)8-9-23-27)12-6-7-13(21)14(22)10-12/h2-10,19,24H,1H3,(H,25,26).
What are the key properties of 6-(1H-benzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
6-(1H-benzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 396.28 g/mol, XLogP of 5.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135843988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).