5-methyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]-3H-indole

C20H26N4 — CID 159292221

IUPAC5-methyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]-3H-indole
SMILESCc1ccc2c(c1)CC(C1CCCN1CCCn1ccnc1C)=N2
InChIInChI=1S/C20H26N4/c1-15-6-7-18-17(13-15)14-19(22-18)20-5-3-9-24(20)11-4-10-23-12-8-21-16(23)2/h6-8,12-13,20H,3-5,9-11,14H2,1-2H3
InChIKeyLNKZUZSRLFTGPK-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.68
Rot. Bonds5

About 5-methyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]-3H-indole

5-methyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]-3H-indole (PubChem CID 159292221) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 5-methyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]-3H-indole.

Molecular Properties

Compound Name5-methyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]-3H-indole
PubChem CID159292221
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name5-methyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]-3H-indole
SMILESCc1ccc2c(c1)CC(C1CCCN1CCCn1ccnc1C)=N2
InChIInChI=1S/C20H26N4/c1-15-6-7-18-17(13-15)14-19(22-18)20-5-3-9-24(20)11-4-10-23-12-8-21-16(23)2/h6-8,12-13,20H,3-5,9-11,14H2,1-2H3
InChIKeyLNKZUZSRLFTGPK-UHFFFAOYSA-N
XLogP3.68
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]-3H-indole?
The IUPAC name of 5-methyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]-3H-indole (CID 159292221) is 5-methyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]-3H-indole.
What is the SMILES notation for 5-methyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]-3H-indole?
The canonical SMILES for 5-methyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]-3H-indole is Cc1ccc2c(c1)CC(C1CCCN1CCCn1ccnc1C)=N2.
What is the InChIKey of 5-methyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]-3H-indole?
The InChIKey is LNKZUZSRLFTGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-15-6-7-18-17(13-15)14-19(22-18)20-5-3-9-24(20)11-4-10-23-12-8-21-16(23)2/h6-8,12-13,20H,3-5,9-11,14H2,1-2H3.
What are the key properties of 5-methyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]-3H-indole?
5-methyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]-3H-indole has a molecular weight of 322.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidin-2-yl]-3H-indole is sourced from PubChem (CID 159292221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).