2-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine

C16H22N4 — CID 56749720

IUPAC2-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine
SMILESCCCn1ccnc1CN1CCCC1c1ccccn1
InChIInChI=1S/C16H22N4/c1-2-10-19-12-9-18-16(19)13-20-11-5-7-15(20)14-6-3-4-8-17-14/h3-4,6,8-9,12,15H,2,5,7,10-11,13H2,1H3
InChIKeyRTWWSKJFVMORID-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.03
Rot. Bonds5

About 2-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine

2-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine (PubChem CID 56749720) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine
PubChem CID56749720
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine
SMILESCCCn1ccnc1CN1CCCC1c1ccccn1
InChIInChI=1S/C16H22N4/c1-2-10-19-12-9-18-16(19)13-20-11-5-7-15(20)14-6-3-4-8-17-14/h3-4,6,8-9,12,15H,2,5,7,10-11,13H2,1H3
InChIKeyRTWWSKJFVMORID-UHFFFAOYSA-N
XLogP3.03
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine (CID 56749720) is 2-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine is CCCn1ccnc1CN1CCCC1c1ccccn1.
What is the InChIKey of 2-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine?
The InChIKey is RTWWSKJFVMORID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-10-19-12-9-18-16(19)13-20-11-5-7-15(20)14-6-3-4-8-17-14/h3-4,6,8-9,12,15H,2,5,7,10-11,13H2,1H3.
What are the key properties of 2-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine?
2-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine has a molecular weight of 270.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 56749720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).