1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole

C13H23N3 — CID 104943065

IUPAC1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCC(C)CCCn1cncc1[C@@H]1CCCN1
InChIInChI=1S/C13H23N3/c1-11(2)5-4-8-16-10-14-9-13(16)12-6-3-7-15-12/h9-12,15H,3-8H2,1-2H3/t12-/m0/s1
InChIKeyVXUCKOPNHZTIBO-LBPRGKRZSA-N
MW221.35 g/mol
LogP2.74
Rot. Bonds5

About 1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole

1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (PubChem CID 104943065) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
PubChem CID104943065
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCC(C)CCCn1cncc1[C@@H]1CCCN1
InChIInChI=1S/C13H23N3/c1-11(2)5-4-8-16-10-14-9-13(16)12-6-3-7-15-12/h9-12,15H,3-8H2,1-2H3/t12-/m0/s1
InChIKeyVXUCKOPNHZTIBO-LBPRGKRZSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The IUPAC name of 1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (CID 104943065) is 1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is CC(C)CCCn1cncc1[C@@H]1CCCN1.
What is the InChIKey of 1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The InChIKey is VXUCKOPNHZTIBO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)5-4-8-16-10-14-9-13(16)12-6-3-7-15-12/h9-12,15H,3-8H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole has a molecular weight of 221.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 104943065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).