6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole

C18H22N4 — CID 110104329

IUPAC6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
SMILESCc1cn(C)c(C2CCCN2Cc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C18H22N4/c1-13-11-21(2)18(20-13)17-4-3-9-22(17)12-14-5-6-15-7-8-19-16(15)10-14/h5-8,10-11,17,19H,3-4,9,12H2,1-2H3
InChIKeyRGBVIRSAEGKSDQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.55
Rot. Bonds3

About 6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole

6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole (PubChem CID 110104329) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
PubChem CID110104329
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
SMILESCc1cn(C)c(C2CCCN2Cc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C18H22N4/c1-13-11-21(2)18(20-13)17-4-3-9-22(17)12-14-5-6-15-7-8-19-16(15)10-14/h5-8,10-11,17,19H,3-4,9,12H2,1-2H3
InChIKeyRGBVIRSAEGKSDQ-UHFFFAOYSA-N
XLogP3.55
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole?
The IUPAC name of 6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole (CID 110104329) is 6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole is Cc1cn(C)c(C2CCCN2Cc2ccc3cc[nH]c3c2)n1.
What is the InChIKey of 6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole?
The InChIKey is RGBVIRSAEGKSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-13-11-21(2)18(20-13)17-4-3-9-22(17)12-14-5-6-15-7-8-19-16(15)10-14/h5-8,10-11,17,19H,3-4,9,12H2,1-2H3.
What are the key properties of 6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole?
6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole has a molecular weight of 294.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 110104329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).