1-methyl-2-[3-(1-methylimidazol-2-yl)cyclohex-3-en-1-yl]imidazole

C14H18N4 — CID 123582136

IUPAC1-methyl-2-[3-(1-methylimidazol-2-yl)cyclohex-3-en-1-yl]imidazole
SMILESCn1ccnc1C1=CCCC(c2nccn2C)C1
InChIInChI=1S/C14H18N4/c1-17-8-6-15-13(17)11-4-3-5-12(10-11)14-16-7-9-18(14)2/h4,6-9,12H,3,5,10H2,1-2H3
InChIKeyIKQXYBUSEDLLCW-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.50
Rot. Bonds2

About 1-methyl-2-[3-(1-methylimidazol-2-yl)cyclohex-3-en-1-yl]imidazole

1-methyl-2-[3-(1-methylimidazol-2-yl)cyclohex-3-en-1-yl]imidazole (PubChem CID 123582136) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-methyl-2-[3-(1-methylimidazol-2-yl)cyclohex-3-en-1-yl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[3-(1-methylimidazol-2-yl)cyclohex-3-en-1-yl]imidazole
PubChem CID123582136
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-methyl-2-[3-(1-methylimidazol-2-yl)cyclohex-3-en-1-yl]imidazole
SMILESCn1ccnc1C1=CCCC(c2nccn2C)C1
InChIInChI=1S/C14H18N4/c1-17-8-6-15-13(17)11-4-3-5-12(10-11)14-16-7-9-18(14)2/h4,6-9,12H,3,5,10H2,1-2H3
InChIKeyIKQXYBUSEDLLCW-UHFFFAOYSA-N
XLogP2.50
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10987073
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CID 71367182
rac-(3aR,7aS)-2-[2-(2-ethyl-1H-imidazol-1-yl)-1-methylethyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole
CID 132409145
4-[1-[2-(Fluoromethyl)imidazol-1-yl]ethyl]cyclohex-2-en-1-amine
CID 174262975
2-cyclohex-3-en-1-yl-1-[2-(1H-imidazol-2-yl)ethyl]-1H-imidazole
CID 56707009
2-(Cyclohexen-1-yl)-1-methylimidazole
CID 44195338
7,8,9,9a-tetrahydro-5H-imidazo[2,1-a]isoindole
CID 134972360
2-(6,6-Difluorocyclohexen-1-yl)-1-methylimidazole
CID 59005672
[6-methyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium-1-yl] thiohypofluorite
CID 142091423
2-(2,6-Dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole
CID 151519521
(cyclohex-3-en-1-ylmethyl)isopropyl[(1-methyl-1H-imidazol-2-yl)methyl]amine
CID 50951875
(3aR*,7aS*)-2-[(1-isopropyl-1H-imidazol-2-yl)methyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole
CID 56917890

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-(1-methylimidazol-2-yl)cyclohex-3-en-1-yl]imidazole?
The IUPAC name of 1-methyl-2-[3-(1-methylimidazol-2-yl)cyclohex-3-en-1-yl]imidazole (CID 123582136) is 1-methyl-2-[3-(1-methylimidazol-2-yl)cyclohex-3-en-1-yl]imidazole.
What is the SMILES notation for 1-methyl-2-[3-(1-methylimidazol-2-yl)cyclohex-3-en-1-yl]imidazole?
The canonical SMILES for 1-methyl-2-[3-(1-methylimidazol-2-yl)cyclohex-3-en-1-yl]imidazole is Cn1ccnc1C1=CCCC(c2nccn2C)C1.
What is the InChIKey of 1-methyl-2-[3-(1-methylimidazol-2-yl)cyclohex-3-en-1-yl]imidazole?
The InChIKey is IKQXYBUSEDLLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-17-8-6-15-13(17)11-4-3-5-12(10-11)14-16-7-9-18(14)2/h4,6-9,12H,3,5,10H2,1-2H3.
What are the key properties of 1-methyl-2-[3-(1-methylimidazol-2-yl)cyclohex-3-en-1-yl]imidazole?
1-methyl-2-[3-(1-methylimidazol-2-yl)cyclohex-3-en-1-yl]imidazole has a molecular weight of 242.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-(1-methylimidazol-2-yl)cyclohex-3-en-1-yl]imidazole is sourced from PubChem (CID 123582136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).