1-(3-imidazol-1-ylpropyl)imidazole

C9H12N4 — CID 15028898

IUPAC1-(3-imidazol-1-ylpropyl)imidazole
SMILESc1cn(CCCn2ccnc2)cn1
InChIInChI=1S/C9H12N4/c1(4-12-6-2-10-8-12)5-13-7-3-11-9-13/h2-3,6-9H,1,4-5H2
InChIKeyISXPITWIJWSEKJ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.17
Rot. Bonds4

About 1-(3-imidazol-1-ylpropyl)imidazole

1-(3-imidazol-1-ylpropyl)imidazole (PubChem CID 15028898) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)imidazole.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)imidazole
PubChem CID15028898
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1-(3-imidazol-1-ylpropyl)imidazole
SMILESc1cn(CCCn2ccnc2)cn1
InChIInChI=1S/C9H12N4/c1(4-12-6-2-10-8-12)5-13-7-3-11-9-13/h2-3,6-9H,1,4-5H2
InChIKeyISXPITWIJWSEKJ-UHFFFAOYSA-N
XLogP1.17
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)imidazole?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)imidazole (CID 15028898) is 1-(3-imidazol-1-ylpropyl)imidazole.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)imidazole?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)imidazole is c1cn(CCCn2ccnc2)cn1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)imidazole?
The InChIKey is ISXPITWIJWSEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1(4-12-6-2-10-8-12)5-13-7-3-11-9-13/h2-3,6-9H,1,4-5H2.
What are the key properties of 1-(3-imidazol-1-ylpropyl)imidazole?
1-(3-imidazol-1-ylpropyl)imidazole has a molecular weight of 176.22 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)imidazole is sourced from PubChem (CID 15028898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).