1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole

C16H22N4O3 — CID 146483333

IUPAC1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole
SMILESC#CCOCCOCCOCCn1ccnc1-c1nccn1C
InChIInChI=1S/C16H22N4O3/c1-3-9-21-11-13-23-14-12-22-10-8-20-7-5-18-16(20)15-17-4-6-19(15)2/h1,4-7H,8-14H2,2H3
InChIKeyVFNRRXRHDUMIBL-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.97
Rot. Bonds11

About 1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole

1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole (PubChem CID 146483333) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole
PubChem CID146483333
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole
SMILESC#CCOCCOCCOCCn1ccnc1-c1nccn1C
InChIInChI=1S/C16H22N4O3/c1-3-9-21-11-13-23-14-12-22-10-8-20-7-5-18-16(20)15-17-4-6-19(15)2/h1,4-7H,8-14H2,2H3
InChIKeyVFNRRXRHDUMIBL-UHFFFAOYSA-N
XLogP0.97
TPSA63.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole?
The IUPAC name of 1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole (CID 146483333) is 1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole.
What is the SMILES notation for 1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole?
The canonical SMILES for 1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole is C#CCOCCOCCOCCn1ccnc1-c1nccn1C.
What is the InChIKey of 1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole?
The InChIKey is VFNRRXRHDUMIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-3-9-21-11-13-23-14-12-22-10-8-20-7-5-18-16(20)15-17-4-6-19(15)2/h1,4-7H,8-14H2,2H3.
What are the key properties of 1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole?
1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole has a molecular weight of 318.38 g/mol, XLogP of 0.97, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]imidazol-2-yl]imidazole is sourced from PubChem (CID 146483333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).