1-[3-[5-(2,2-dimethyl-3H-1-benzofuran-5-yl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole

C21H26N4O — CID 46980299

IUPAC1-[3-[5-(2,2-dimethyl-3H-1-benzofuran-5-yl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(CCCn2cncc2-c2ccc3c(c2)CC(C)(C)O3)n1
InChIInChI=1S/C21H26N4O/c1-15-10-16(2)25(23-15)9-5-8-24-14-22-13-19(24)17-6-7-20-18(11-17)12-21(3,4)26-20/h6-7,10-11,13-14H,5,8-9,12H2,1-4H3
InChIKeyMDTLXQHOKUIFLC-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.17
Rot. Bonds5

About 1-[3-[5-(2,2-dimethyl-3H-1-benzofuran-5-yl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole

1-[3-[5-(2,2-dimethyl-3H-1-benzofuran-5-yl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole (PubChem CID 46980299) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-[3-[5-(2,2-dimethyl-3H-1-benzofuran-5-yl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[3-[5-(2,2-dimethyl-3H-1-benzofuran-5-yl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole
PubChem CID46980299
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-[3-[5-(2,2-dimethyl-3H-1-benzofuran-5-yl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(CCCn2cncc2-c2ccc3c(c2)CC(C)(C)O3)n1
InChIInChI=1S/C21H26N4O/c1-15-10-16(2)25(23-15)9-5-8-24-14-22-13-19(24)17-6-7-20-18(11-17)12-21(3,4)26-20/h6-7,10-11,13-14H,5,8-9,12H2,1-4H3
InChIKeyMDTLXQHOKUIFLC-UHFFFAOYSA-N
XLogP4.17
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(2,2-dimethyl-3H-1-benzofuran-5-yl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[3-[5-(2,2-dimethyl-3H-1-benzofuran-5-yl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole (CID 46980299) is 1-[3-[5-(2,2-dimethyl-3H-1-benzofuran-5-yl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[3-[5-(2,2-dimethyl-3H-1-benzofuran-5-yl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[3-[5-(2,2-dimethyl-3H-1-benzofuran-5-yl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole is Cc1cc(C)n(CCCn2cncc2-c2ccc3c(c2)CC(C)(C)O3)n1.
What is the InChIKey of 1-[3-[5-(2,2-dimethyl-3H-1-benzofuran-5-yl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole?
The InChIKey is MDTLXQHOKUIFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-10-16(2)25(23-15)9-5-8-24-14-22-13-19(24)17-6-7-20-18(11-17)12-21(3,4)26-20/h6-7,10-11,13-14H,5,8-9,12H2,1-4H3.
What are the key properties of 1-[3-[5-(2,2-dimethyl-3H-1-benzofuran-5-yl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole?
1-[3-[5-(2,2-dimethyl-3H-1-benzofuran-5-yl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole has a molecular weight of 350.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(2,2-dimethyl-3H-1-benzofuran-5-yl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 46980299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).