1,2-dimethyl-5-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]-2,3-dihydroindole

C21H27N5 — CID 46980477

IUPAC1,2-dimethyl-5-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]-2,3-dihydroindole
SMILESCc1nn(C)c(C)c1CCn1cncc1-c1ccc2c(c1)CC(C)N2C
InChIInChI=1S/C21H27N5/c1-14-10-18-11-17(6-7-20(18)24(14)4)21-12-22-13-26(21)9-8-19-15(2)23-25(5)16(19)3/h6-7,11-14H,8-10H2,1-5H3
InChIKeyLTSCUPNXOHFMJK-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.52
Rot. Bonds4

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

1,2-dimethyl-5-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]-2,3-dihydroindole (PubChem CID 46980477) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1,2-dimethyl-5-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1,2-dimethyl-5-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]-2,3-dihydroindole
PubChem CID46980477
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name1,2-dimethyl-5-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]-2,3-dihydroindole
SMILESCc1nn(C)c(C)c1CCn1cncc1-c1ccc2c(c1)CC(C)N2C
InChIInChI=1S/C21H27N5/c1-14-10-18-11-17(6-7-20(18)24(14)4)21-12-22-13-26(21)9-8-19-15(2)23-25(5)16(19)3/h6-7,11-14H,8-10H2,1-5H3
InChIKeyLTSCUPNXOHFMJK-UHFFFAOYSA-N
XLogP3.52
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]-2,3-dihydroindole?
The IUPAC name of 1,2-dimethyl-5-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]-2,3-dihydroindole (CID 46980477) is 1,2-dimethyl-5-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]-2,3-dihydroindole.
What is the SMILES notation for 1,2-dimethyl-5-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]-2,3-dihydroindole?
The canonical SMILES for 1,2-dimethyl-5-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]-2,3-dihydroindole is Cc1nn(C)c(C)c1CCn1cncc1-c1ccc2c(c1)CC(C)N2C.
What is the InChIKey of 1,2-dimethyl-5-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]-2,3-dihydroindole?
The InChIKey is LTSCUPNXOHFMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-14-10-18-11-17(6-7-20(18)24(14)4)21-12-22-13-26(21)9-8-19-15(2)23-25(5)16(19)3/h6-7,11-14H,8-10H2,1-5H3.
What are the key properties of 1,2-dimethyl-5-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]-2,3-dihydroindole?
1,2-dimethyl-5-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]-2,3-dihydroindole has a molecular weight of 349.48 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazol-4-yl]-2,3-dihydroindole is sourced from PubChem (CID 46980477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).