1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole

C17H20N8 — CID 58721006

IUPAC1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole
SMILESc1cn(CC(Cn2ccnc2)(Cn2ccnc2)Cn2ccnc2)cn1
InChIInChI=1S/C17H20N8/c1-5-22(13-18-1)9-17(10-23-6-2-19-14-23,11-24-7-3-20-15-24)12-25-8-4-21-16-25/h1-8,13-16H,9-12H2
InChIKeyOSWWXNWCSXPFJO-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.56
Rot. Bonds8

About 1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole

1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole (PubChem CID 58721006) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole.

Molecular Properties

Compound Name1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole
PubChem CID58721006
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC Name1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole
SMILESc1cn(CC(Cn2ccnc2)(Cn2ccnc2)Cn2ccnc2)cn1
InChIInChI=1S/C17H20N8/c1-5-22(13-18-1)9-17(10-23-6-2-19-14-23,11-24-7-3-20-15-24)12-25-8-4-21-16-25/h1-8,13-16H,9-12H2
InChIKeyOSWWXNWCSXPFJO-UHFFFAOYSA-N
XLogP1.56
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole?
The IUPAC name of 1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole (CID 58721006) is 1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole.
What is the SMILES notation for 1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole?
The canonical SMILES for 1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole is c1cn(CC(Cn2ccnc2)(Cn2ccnc2)Cn2ccnc2)cn1.
What is the InChIKey of 1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole?
The InChIKey is OSWWXNWCSXPFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-5-22(13-18-1)9-17(10-23-6-2-19-14-23,11-24-7-3-20-15-24)12-25-8-4-21-16-25/h1-8,13-16H,9-12H2.
What are the key properties of 1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole?
1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole has a molecular weight of 336.40 g/mol, XLogP of 1.56, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole is sourced from PubChem (CID 58721006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).