1,2-di(cyclopenta-2,4-dien-1-yl)-4,5-dihydroimidazole

C13H14N2 — CID 146032409

IUPAC1,2-di(cyclopenta-2,4-dien-1-yl)-4,5-dihydroimidazole
SMILESC1=CC(C2=NCCN2C2C=CC=C2)C=C1
InChIInChI=1S/C13H14N2/c1-2-6-11(5-1)13-14-9-10-15(13)12-7-3-4-8-12/h1-8,11-12H,9-10H2
InChIKeyNBBFNDIQCKKSLA-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.94
Rot. Bonds2

About 1,2-di(cyclopenta-2,4-dien-1-yl)-4,5-dihydroimidazole

1,2-di(cyclopenta-2,4-dien-1-yl)-4,5-dihydroimidazole (PubChem CID 146032409) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1,2-di(cyclopenta-2,4-dien-1-yl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1,2-di(cyclopenta-2,4-dien-1-yl)-4,5-dihydroimidazole
PubChem CID146032409
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name1,2-di(cyclopenta-2,4-dien-1-yl)-4,5-dihydroimidazole
SMILESC1=CC(C2=NCCN2C2C=CC=C2)C=C1
InChIInChI=1S/C13H14N2/c1-2-6-11(5-1)13-14-9-10-15(13)12-7-3-4-8-12/h1-8,11-12H,9-10H2
InChIKeyNBBFNDIQCKKSLA-UHFFFAOYSA-N
XLogP1.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-1-methyl-3a,7a-dihydrobenzimidazole
CID 59197950
1,2-Di(propan-2-yl)-3a,7a-dihydrobenzimidazole
CID 155635624
1,3-Di(cyclopenta-2,4-dien-1-yl)-4,5-dihydroimidazol-1-ium
CID 100943451
2-Ethyl-6-methyl-1-propyl-3a,7a-dihydrobenzimidazole
CID 142019971
2,6-Diethyl-1-propyl-3a,7a-dihydrobenzimidazole
CID 142020180

Frequently Asked Questions

What is the IUPAC name of 1,2-di(cyclopenta-2,4-dien-1-yl)-4,5-dihydroimidazole?
The IUPAC name of 1,2-di(cyclopenta-2,4-dien-1-yl)-4,5-dihydroimidazole (CID 146032409) is 1,2-di(cyclopenta-2,4-dien-1-yl)-4,5-dihydroimidazole.
What is the SMILES notation for 1,2-di(cyclopenta-2,4-dien-1-yl)-4,5-dihydroimidazole?
The canonical SMILES for 1,2-di(cyclopenta-2,4-dien-1-yl)-4,5-dihydroimidazole is C1=CC(C2=NCCN2C2C=CC=C2)C=C1.
What is the InChIKey of 1,2-di(cyclopenta-2,4-dien-1-yl)-4,5-dihydroimidazole?
The InChIKey is NBBFNDIQCKKSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-6-11(5-1)13-14-9-10-15(13)12-7-3-4-8-12/h1-8,11-12H,9-10H2.
What are the key properties of 1,2-di(cyclopenta-2,4-dien-1-yl)-4,5-dihydroimidazole?
1,2-di(cyclopenta-2,4-dien-1-yl)-4,5-dihydroimidazole has a molecular weight of 198.27 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(cyclopenta-2,4-dien-1-yl)-4,5-dihydroimidazole is sourced from PubChem (CID 146032409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).