5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1,2-dimethyl-2,3-dihydroindole

C21H27N5 — CID 46980475

IUPAC5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1,2-dimethyl-2,3-dihydroindole
SMILESCc1cc(C)n(CCCn2cncc2-c2ccc3c(c2)CC(C)N3C)n1
InChIInChI=1S/C21H27N5/c1-15-10-17(3)26(23-15)9-5-8-25-14-22-13-21(25)18-6-7-20-19(12-18)11-16(2)24(20)4/h6-7,10,12-14,16H,5,8-9,11H2,1-4H3
InChIKeyIYMGQYQQQOHGBY-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.83
Rot. Bonds5

About 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1,2-dimethyl-2,3-dihydroindole

5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1,2-dimethyl-2,3-dihydroindole (PubChem CID 46980475) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1,2-dimethyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1,2-dimethyl-2,3-dihydroindole
PubChem CID46980475
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1,2-dimethyl-2,3-dihydroindole
SMILESCc1cc(C)n(CCCn2cncc2-c2ccc3c(c2)CC(C)N3C)n1
InChIInChI=1S/C21H27N5/c1-15-10-17(3)26(23-15)9-5-8-25-14-22-13-21(25)18-6-7-20-19(12-18)11-16(2)24(20)4/h6-7,10,12-14,16H,5,8-9,11H2,1-4H3
InChIKeyIYMGQYQQQOHGBY-UHFFFAOYSA-N
XLogP3.83
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1,2-dimethyl-2,3-dihydroindole?
The IUPAC name of 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1,2-dimethyl-2,3-dihydroindole (CID 46980475) is 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1,2-dimethyl-2,3-dihydroindole.
What is the SMILES notation for 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1,2-dimethyl-2,3-dihydroindole?
The canonical SMILES for 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1,2-dimethyl-2,3-dihydroindole is Cc1cc(C)n(CCCn2cncc2-c2ccc3c(c2)CC(C)N3C)n1.
What is the InChIKey of 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1,2-dimethyl-2,3-dihydroindole?
The InChIKey is IYMGQYQQQOHGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-15-10-17(3)26(23-15)9-5-8-25-14-22-13-21(25)18-6-7-20-19(12-18)11-16(2)24(20)4/h6-7,10,12-14,16H,5,8-9,11H2,1-4H3.
What are the key properties of 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1,2-dimethyl-2,3-dihydroindole?
5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1,2-dimethyl-2,3-dihydroindole has a molecular weight of 349.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1,2-dimethyl-2,3-dihydroindole is sourced from PubChem (CID 46980475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).