1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]imidazole-2-carbonitrile

C14H23N5 — CID 99796692

IUPAC1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]imidazole-2-carbonitrile
SMILESCC(C)N1CCN(CCCn2ccnc2C#N)CC1
InChIInChI=1S/C14H23N5/c1-13(2)18-10-8-17(9-11-18)5-3-6-19-7-4-16-14(19)12-15/h4,7,13H,3,5-6,8-11H2,1-2H3
InChIKeyYKHGQNULJFTWRM-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.17
Rot. Bonds5

About 1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]imidazole-2-carbonitrile

1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]imidazole-2-carbonitrile (PubChem CID 99796692) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]imidazole-2-carbonitrile.

Molecular Properties

Compound Name1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]imidazole-2-carbonitrile
PubChem CID99796692
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]imidazole-2-carbonitrile
SMILESCC(C)N1CCN(CCCn2ccnc2C#N)CC1
InChIInChI=1S/C14H23N5/c1-13(2)18-10-8-17(9-11-18)5-3-6-19-7-4-16-14(19)12-15/h4,7,13H,3,5-6,8-11H2,1-2H3
InChIKeyYKHGQNULJFTWRM-UHFFFAOYSA-N
XLogP1.17
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]imidazole-2-carbonitrile?
The IUPAC name of 1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]imidazole-2-carbonitrile (CID 99796692) is 1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]imidazole-2-carbonitrile.
What is the SMILES notation for 1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]imidazole-2-carbonitrile?
The canonical SMILES for 1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]imidazole-2-carbonitrile is CC(C)N1CCN(CCCn2ccnc2C#N)CC1.
What is the InChIKey of 1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]imidazole-2-carbonitrile?
The InChIKey is YKHGQNULJFTWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-13(2)18-10-8-17(9-11-18)5-3-6-19-7-4-16-14(19)12-15/h4,7,13H,3,5-6,8-11H2,1-2H3.
What are the key properties of 1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]imidazole-2-carbonitrile?
1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]imidazole-2-carbonitrile has a molecular weight of 261.37 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]imidazole-2-carbonitrile is sourced from PubChem (CID 99796692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).