6-(2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzimidazole

C19H16N4 — CID 12000104

IUPAC6-(2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzimidazole
SMILESc1ccc(-c2nn3c(c2-c2ccc4nc[nH]c4c2)CCC3)cc1
InChIInChI=1S/C19H16N4/c1-2-5-13(6-3-1)19-18(17-7-4-10-23(17)22-19)14-8-9-15-16(11-14)21-12-20-15/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,20,21)
InChIKeyGTTMEJRMUWQCJW-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.04
Rot. Bonds2

About 6-(2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzimidazole

6-(2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzimidazole (PubChem CID 12000104) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 6-(2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzimidazole
PubChem CID12000104
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name6-(2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzimidazole
SMILESc1ccc(-c2nn3c(c2-c2ccc4nc[nH]c4c2)CCC3)cc1
InChIInChI=1S/C19H16N4/c1-2-5-13(6-3-1)19-18(17-7-4-10-23(17)22-19)14-8-9-15-16(11-14)21-12-20-15/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,20,21)
InChIKeyGTTMEJRMUWQCJW-UHFFFAOYSA-N
XLogP4.04
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzimidazole?
The IUPAC name of 6-(2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzimidazole (CID 12000104) is 6-(2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzimidazole.
What is the SMILES notation for 6-(2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzimidazole?
The canonical SMILES for 6-(2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzimidazole is c1ccc(-c2nn3c(c2-c2ccc4nc[nH]c4c2)CCC3)cc1.
What is the InChIKey of 6-(2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzimidazole?
The InChIKey is GTTMEJRMUWQCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-2-5-13(6-3-1)19-18(17-7-4-10-23(17)22-19)14-8-9-15-16(11-14)21-12-20-15/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,20,21).
What are the key properties of 6-(2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzimidazole?
6-(2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzimidazole has a molecular weight of 300.37 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzimidazole is sourced from PubChem (CID 12000104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).