2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-1H-benzimidazole

C18H20N6 — CID 56861045

IUPAC2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-1H-benzimidazole
SMILESCCn1nc(C)c(Cn2ccnc2-c2nc3ccccc3[nH]2)c1C
InChIInChI=1S/C18H20N6/c1-4-24-13(3)14(12(2)22-24)11-23-10-9-19-18(23)17-20-15-7-5-6-8-16(15)21-17/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyORXCBWMREZZCSA-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.31
Rot. Bonds4

About 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-1H-benzimidazole

2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-1H-benzimidazole (PubChem CID 56861045) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-1H-benzimidazole
PubChem CID56861045
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-1H-benzimidazole
SMILESCCn1nc(C)c(Cn2ccnc2-c2nc3ccccc3[nH]2)c1C
InChIInChI=1S/C18H20N6/c1-4-24-13(3)14(12(2)22-24)11-23-10-9-19-18(23)17-20-15-7-5-6-8-16(15)21-17/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyORXCBWMREZZCSA-UHFFFAOYSA-N
XLogP3.31
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-1H-benzimidazole (CID 56861045) is 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-1H-benzimidazole is CCn1nc(C)c(Cn2ccnc2-c2nc3ccccc3[nH]2)c1C.
What is the InChIKey of 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-1H-benzimidazole?
The InChIKey is ORXCBWMREZZCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-4-24-13(3)14(12(2)22-24)11-23-10-9-19-18(23)17-20-15-7-5-6-8-16(15)21-17/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-1H-benzimidazole?
2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-1H-benzimidazole has a molecular weight of 320.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]-1H-benzimidazole is sourced from PubChem (CID 56861045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).