2-[[5-(1H-imidazol-2-ylmethylidene)cyclohex-2-en-1-ylidene]methyl]-1H-imidazole

C14H14N4 — CID 141471585

IUPAC2-[[5-(1H-imidazol-2-ylmethylidene)cyclohex-2-en-1-ylidene]methyl]-1H-imidazole
SMILESC1=CC(=Cc2ncc[nH]2)CC(=Cc2ncc[nH]2)C1
InChIInChI=1S/C14H14N4/c1-2-11(9-13-15-4-5-16-13)8-12(3-1)10-14-17-6-7-18-14/h1-2,4-7,9-10H,3,8H2,(H,15,16)(H,17,18)
InChIKeyVNXJMTBUHXUKCR-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.95
Rot. Bonds2

About 2-[[5-(1H-imidazol-2-ylmethylidene)cyclohex-2-en-1-ylidene]methyl]-1H-imidazole

2-[[5-(1H-imidazol-2-ylmethylidene)cyclohex-2-en-1-ylidene]methyl]-1H-imidazole (PubChem CID 141471585) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[[5-(1H-imidazol-2-ylmethylidene)cyclohex-2-en-1-ylidene]methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[[5-(1H-imidazol-2-ylmethylidene)cyclohex-2-en-1-ylidene]methyl]-1H-imidazole
PubChem CID141471585
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-[[5-(1H-imidazol-2-ylmethylidene)cyclohex-2-en-1-ylidene]methyl]-1H-imidazole
SMILESC1=CC(=Cc2ncc[nH]2)CC(=Cc2ncc[nH]2)C1
InChIInChI=1S/C14H14N4/c1-2-11(9-13-15-4-5-16-13)8-12(3-1)10-14-17-6-7-18-14/h1-2,4-7,9-10H,3,8H2,(H,15,16)(H,17,18)
InChIKeyVNXJMTBUHXUKCR-UHFFFAOYSA-N
XLogP2.95
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1H-imidazol-2-ylmethylidene)cyclohex-2-en-1-ylidene]methyl]-1H-imidazole?
The IUPAC name of 2-[[5-(1H-imidazol-2-ylmethylidene)cyclohex-2-en-1-ylidene]methyl]-1H-imidazole (CID 141471585) is 2-[[5-(1H-imidazol-2-ylmethylidene)cyclohex-2-en-1-ylidene]methyl]-1H-imidazole.
What is the SMILES notation for 2-[[5-(1H-imidazol-2-ylmethylidene)cyclohex-2-en-1-ylidene]methyl]-1H-imidazole?
The canonical SMILES for 2-[[5-(1H-imidazol-2-ylmethylidene)cyclohex-2-en-1-ylidene]methyl]-1H-imidazole is C1=CC(=Cc2ncc[nH]2)CC(=Cc2ncc[nH]2)C1.
What is the InChIKey of 2-[[5-(1H-imidazol-2-ylmethylidene)cyclohex-2-en-1-ylidene]methyl]-1H-imidazole?
The InChIKey is VNXJMTBUHXUKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-11(9-13-15-4-5-16-13)8-12(3-1)10-14-17-6-7-18-14/h1-2,4-7,9-10H,3,8H2,(H,15,16)(H,17,18).
What are the key properties of 2-[[5-(1H-imidazol-2-ylmethylidene)cyclohex-2-en-1-ylidene]methyl]-1H-imidazole?
2-[[5-(1H-imidazol-2-ylmethylidene)cyclohex-2-en-1-ylidene]methyl]-1H-imidazole has a molecular weight of 238.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1H-imidazol-2-ylmethylidene)cyclohex-2-en-1-ylidene]methyl]-1H-imidazole is sourced from PubChem (CID 141471585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).