1,3-dicyclohexyl-2H-imidazole;hydrate

C15H28N2O — CID 174895772

IUPAC1,3-dicyclohexyl-2H-imidazole;hydrate
SMILESC1=CN(C2CCCCC2)CN1C1CCCCC1.O
InChIInChI=1S/C15H26N2.H2O/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;/h11-12,14-15H,1-10,13H2;1H2
InChIKeyGTNOVTOMILNZMD-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.87
Rot. Bonds2

About 1,3-dicyclohexyl-2H-imidazole;hydrate

1,3-dicyclohexyl-2H-imidazole;hydrate (PubChem CID 174895772) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2H-imidazole;hydrate.

Molecular Properties

Compound Name1,3-dicyclohexyl-2H-imidazole;hydrate
PubChem CID174895772
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1,3-dicyclohexyl-2H-imidazole;hydrate
SMILESC1=CN(C2CCCCC2)CN1C1CCCCC1.O
InChIInChI=1S/C15H26N2.H2O/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;/h11-12,14-15H,1-10,13H2;1H2
InChIKeyGTNOVTOMILNZMD-UHFFFAOYSA-N
XLogP2.87
TPSA37.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dicyclohexyl-2H-imidazole tetrafluoroborate
CID 174863635
1-cyclopentyl-3-propyl-2H-imidazole
CID 174543956
1-cyclohexyl-3-octyl-2H-imidazole
CID 21260219
1-cyclopentyl-3-(3,5-dinitrophenyl)-2H-imidazole
CID 90227240
CID 15865189
CID 15865189
acetic acid;1-cyclopentyl-3-propyl-2H-imidazole
CID 174543955
1-cycloheptyl-2,5-dihydropyrrole
CID 139880348
3,7-dicyclohexyl-1,5,3,7-diselenadiazocane
CID 11112323
(7S)-12-methyl-12-azabicyclo[5.4.1]dodecane
CID 126565755
[4-[[4-(3-cyclohexyl-2H-imidazol-1-yl)phenyl]methyl]piperazin-1-yl]methanesulfinic acid
CID 174696108
(1,3-dicyclohexylimidazolidin-2-ylidene)rhodium
CID 142675127
1-cyclooctylpiperidine
CID 89210756

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-2H-imidazole;hydrate?
The IUPAC name of 1,3-dicyclohexyl-2H-imidazole;hydrate (CID 174895772) is 1,3-dicyclohexyl-2H-imidazole;hydrate.
What is the SMILES notation for 1,3-dicyclohexyl-2H-imidazole;hydrate?
The canonical SMILES for 1,3-dicyclohexyl-2H-imidazole;hydrate is C1=CN(C2CCCCC2)CN1C1CCCCC1.O.
What is the InChIKey of 1,3-dicyclohexyl-2H-imidazole;hydrate?
The InChIKey is GTNOVTOMILNZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2.H2O/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;/h11-12,14-15H,1-10,13H2;1H2.
What are the key properties of 1,3-dicyclohexyl-2H-imidazole;hydrate?
1,3-dicyclohexyl-2H-imidazole;hydrate has a molecular weight of 252.40 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2H-imidazole;hydrate is sourced from PubChem (CID 174895772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).