7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine

C22H18Cl2FN5O — CID 135843672

IUPAC7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCOCC1=C(c2nc3cc(F)ccc3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C22H18Cl2FN5O/c1-29-18-6-4-13(25)10-16(18)28-22(29)20-17(11-31-2)27-19-7-8-26-30(19)21(20)12-3-5-14(23)15(24)9-12/h3-10,21,27H,11H2,1-2H3
InChIKeyDEGANGVBJANIHO-UHFFFAOYSA-N
MW458.32 g/mol
LogP5.29
Rot. Bonds4

About 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine

7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 135843672) has the molecular formula C22H18Cl2FN5O and a molecular weight of 458.32 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID135843672
Molecular FormulaC22H18Cl2FN5O
Molecular Weight458.32 g/mol
Exact Mass457.09
IUPAC Name7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCOCC1=C(c2nc3cc(F)ccc3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C22H18Cl2FN5O/c1-29-18-6-4-13(25)10-16(18)28-22(29)20-17(11-31-2)27-19-7-8-26-30(19)21(20)12-3-5-14(23)15(24)9-12/h3-10,21,27H,11H2,1-2H3
InChIKeyDEGANGVBJANIHO-UHFFFAOYSA-N
XLogP5.29
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.32
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3,4-Dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843728
7-(3,4-Dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843751
7-(3,4-Dichlorophenyl)-6-(5-fluoro-1-propylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843801
7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843887
6-(1H-benzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843988
6-(5-Chloro-1-ethylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843992
6-(5-Chloro-1-propan-2-ylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843993
7-(3,4-Dichlorophenyl)-6-(4-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 136180757
6-(7-Chloro-1-methylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 136180758
6-(6-Chloro-1-methylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 136180759
6-(5-Chloro-1-methylbenzimidazol-2-yl)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 136180760
7-(3,4-Dichlorophenyl)-6-(1,7-dimethylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 136180761

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine (CID 135843672) is 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine is COCC1=C(c2nc3cc(F)ccc3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is DEGANGVBJANIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2FN5O/c1-29-18-6-4-13(25)10-16(18)28-22(29)20-17(11-31-2)27-19-7-8-26-30(19)21(20)12-3-5-14(23)15(24)9-12/h3-10,21,27H,11H2,1-2H3.
What are the key properties of 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 458.32 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135843672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).