2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(furan-3-yl)-1H-benzimidazole

C19H16N6O — CID 137109031

IUPAC2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(furan-3-yl)-1H-benzimidazole
SMILESCc1ncc(-c2cc(-c3nc4c(-c5ccoc5)cccc4[nH]3)n[nH]2)n1C
InChIInChI=1S/C19H16N6O/c1-11-20-9-17(25(11)2)15-8-16(24-23-15)19-21-14-5-3-4-13(18(14)22-19)12-6-7-26-10-12/h3-10H,1-2H3,(H,21,22)(H,23,24)
InChIKeyWLKFCQVVDAWYNF-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.92
Rot. Bonds3

About 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(furan-3-yl)-1H-benzimidazole

2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(furan-3-yl)-1H-benzimidazole (PubChem CID 137109031) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(furan-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(furan-3-yl)-1H-benzimidazole
PubChem CID137109031
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(furan-3-yl)-1H-benzimidazole
SMILESCc1ncc(-c2cc(-c3nc4c(-c5ccoc5)cccc4[nH]3)n[nH]2)n1C
InChIInChI=1S/C19H16N6O/c1-11-20-9-17(25(11)2)15-8-16(24-23-15)19-21-14-5-3-4-13(18(14)22-19)12-6-7-26-10-12/h3-10H,1-2H3,(H,21,22)(H,23,24)
InChIKeyWLKFCQVVDAWYNF-UHFFFAOYSA-N
XLogP3.92
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(furan-3-yl)-1H-benzimidazole?
The IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(furan-3-yl)-1H-benzimidazole (CID 137109031) is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(furan-3-yl)-1H-benzimidazole.
What is the SMILES notation for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(furan-3-yl)-1H-benzimidazole?
The canonical SMILES for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(furan-3-yl)-1H-benzimidazole is Cc1ncc(-c2cc(-c3nc4c(-c5ccoc5)cccc4[nH]3)n[nH]2)n1C.
What is the InChIKey of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(furan-3-yl)-1H-benzimidazole?
The InChIKey is WLKFCQVVDAWYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-11-20-9-17(25(11)2)15-8-16(24-23-15)19-21-14-5-3-4-13(18(14)22-19)12-6-7-26-10-12/h3-10H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(furan-3-yl)-1H-benzimidazole?
2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(furan-3-yl)-1H-benzimidazole has a molecular weight of 344.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-3-yl]-4-(furan-3-yl)-1H-benzimidazole is sourced from PubChem (CID 137109031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).