4-[1-(9H-fluoren-9-yl)imidazol-2-yl]-1,2-dimethylimidazole

C21H18N4 — CID 154817844

IUPAC4-[1-(9H-fluoren-9-yl)imidazol-2-yl]-1,2-dimethylimidazole
SMILESCc1nc(-c2nccn2C2c3ccccc3-c3ccccc32)cn1C
InChIInChI=1S/C21H18N4/c1-14-23-19(13-24(14)2)21-22-11-12-25(21)20-17-9-5-3-7-15(17)16-8-4-6-10-18(16)20/h3-13,20H,1-2H3
InChIKeyHUMLODJFKLLBSY-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.21
Rot. Bonds2

About 4-[1-(9H-fluoren-9-yl)imidazol-2-yl]-1,2-dimethylimidazole

4-[1-(9H-fluoren-9-yl)imidazol-2-yl]-1,2-dimethylimidazole (PubChem CID 154817844) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[1-(9H-fluoren-9-yl)imidazol-2-yl]-1,2-dimethylimidazole.

Molecular Properties

Compound Name4-[1-(9H-fluoren-9-yl)imidazol-2-yl]-1,2-dimethylimidazole
PubChem CID154817844
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name4-[1-(9H-fluoren-9-yl)imidazol-2-yl]-1,2-dimethylimidazole
SMILESCc1nc(-c2nccn2C2c3ccccc3-c3ccccc32)cn1C
InChIInChI=1S/C21H18N4/c1-14-23-19(13-24(14)2)21-22-11-12-25(21)20-17-9-5-3-7-15(17)16-8-4-6-10-18(16)20/h3-13,20H,1-2H3
InChIKeyHUMLODJFKLLBSY-UHFFFAOYSA-N
XLogP4.21
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole
CID 154823831
(7R,8aS)-7-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 154818058
5-methyl-10-phenyl-10H-imidazo[2,1-c][1,4]benzodiazepin-4-one
CID 11637842
N-[(1-methylimidazol-2-yl)methyl]-9H-fluoren-9-amine
CID 60695855
4-[1-[1-(cyclohexen-1-yl)ethyl]imidazol-2-yl]-1,2-dimethylimidazole
CID 154821737
5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 155493383
4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;hydrochloride
CID 155941142
6-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-3-ethyl-1,3-benzoxazol-2-one
CID 155506882
1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-3-yl)imidazole
CID 155910429
CID 174689897
CID 174689897
7-methyl-5-naphthalen-1-yl-5,6-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid
CID 91507303
1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid
CID 155938206

Frequently Asked Questions

What is the IUPAC name of 4-[1-(9H-fluoren-9-yl)imidazol-2-yl]-1,2-dimethylimidazole?
The IUPAC name of 4-[1-(9H-fluoren-9-yl)imidazol-2-yl]-1,2-dimethylimidazole (CID 154817844) is 4-[1-(9H-fluoren-9-yl)imidazol-2-yl]-1,2-dimethylimidazole.
What is the SMILES notation for 4-[1-(9H-fluoren-9-yl)imidazol-2-yl]-1,2-dimethylimidazole?
The canonical SMILES for 4-[1-(9H-fluoren-9-yl)imidazol-2-yl]-1,2-dimethylimidazole is Cc1nc(-c2nccn2C2c3ccccc3-c3ccccc32)cn1C.
What is the InChIKey of 4-[1-(9H-fluoren-9-yl)imidazol-2-yl]-1,2-dimethylimidazole?
The InChIKey is HUMLODJFKLLBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-14-23-19(13-24(14)2)21-22-11-12-25(21)20-17-9-5-3-7-15(17)16-8-4-6-10-18(16)20/h3-13,20H,1-2H3.
What are the key properties of 4-[1-(9H-fluoren-9-yl)imidazol-2-yl]-1,2-dimethylimidazole?
4-[1-(9H-fluoren-9-yl)imidazol-2-yl]-1,2-dimethylimidazole has a molecular weight of 326.40 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(9H-fluoren-9-yl)imidazol-2-yl]-1,2-dimethylimidazole is sourced from PubChem (CID 154817844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).