1-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-propan-2-ylpiperazine

C16H26N6 — CID 56868828

IUPAC1-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCn2ccnc2-c2nccn2C)CC1
InChIInChI=1S/C16H26N6/c1-14(2)21-11-8-20(9-12-21)10-13-22-7-5-18-16(22)15-17-4-6-19(15)3/h4-7,14H,8-13H2,1-3H3
InChIKeyPRKOHORRAMFPKW-UHFFFAOYSA-N
MW302.43 g/mol
LogP1.31
Rot. Bonds5

About 1-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-propan-2-ylpiperazine

1-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-propan-2-ylpiperazine (PubChem CID 56868828) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is 1-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-propan-2-ylpiperazine
PubChem CID56868828
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC Name1-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCn2ccnc2-c2nccn2C)CC1
InChIInChI=1S/C16H26N6/c1-14(2)21-11-8-20(9-12-21)10-13-22-7-5-18-16(22)15-17-4-6-19(15)3/h4-7,14H,8-13H2,1-3H3
InChIKeyPRKOHORRAMFPKW-UHFFFAOYSA-N
XLogP1.31
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-propan-2-ylpiperazine (CID 56868828) is 1-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(CCn2ccnc2-c2nccn2C)CC1.
What is the InChIKey of 1-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-propan-2-ylpiperazine?
The InChIKey is PRKOHORRAMFPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-14(2)21-11-8-20(9-12-21)10-13-22-7-5-18-16(22)15-17-4-6-19(15)3/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 1-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-propan-2-ylpiperazine?
1-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-propan-2-ylpiperazine has a molecular weight of 302.43 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 56868828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).