1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone

C20H17N5O — CID 90602015

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCn3c2nc2ccccc23)cnn1-c1ccccc1
InChIInChI=1S/C20H17N5O/c1-14-16(13-21-25(14)15-7-3-2-4-8-15)19(26)24-12-11-23-18-10-6-5-9-17(18)22-20(23)24/h2-10,13H,11-12H2,1H3
InChIKeyCBYJLSVMWBPSPU-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.19
Rot. Bonds2

About 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone (PubChem CID 90602015) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone
PubChem CID90602015
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCn3c2nc2ccccc23)cnn1-c1ccccc1
InChIInChI=1S/C20H17N5O/c1-14-16(13-21-25(14)15-7-3-2-4-8-15)19(26)24-12-11-23-18-10-6-5-9-17(18)22-20(23)24/h2-10,13H,11-12H2,1H3
InChIKeyCBYJLSVMWBPSPU-UHFFFAOYSA-N
XLogP3.19
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone (CID 90602015) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone is Cc1c(C(=O)N2CCn3c2nc2ccccc23)cnn1-c1ccccc1.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The InChIKey is CBYJLSVMWBPSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-14-16(13-21-25(14)15-7-3-2-4-8-15)19(26)24-12-11-23-18-10-6-5-9-17(18)22-20(23)24/h2-10,13H,11-12H2,1H3.
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone has a molecular weight of 343.39 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 90602015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).