2-[4-(oxiran-2-yl)cyclohexyl]-1H-imidazole

C11H16N2O — CID 18695356

IUPAC2-[4-(oxiran-2-yl)cyclohexyl]-1H-imidazole
SMILESc1c[nH]c(C2CCC(C3CO3)CC2)n1
InChIInChI=1S/C11H16N2O/c1-3-9(11-12-5-6-13-11)4-2-8(1)10-7-14-10/h5-6,8-10H,1-4,7H2,(H,12,13)
InChIKeyTTXMBBJAIXOYOG-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.08
Rot. Bonds2

About 2-[4-(oxiran-2-yl)cyclohexyl]-1H-imidazole

2-[4-(oxiran-2-yl)cyclohexyl]-1H-imidazole (PubChem CID 18695356) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[4-(oxiran-2-yl)cyclohexyl]-1H-imidazole.

Molecular Properties

Compound Name2-[4-(oxiran-2-yl)cyclohexyl]-1H-imidazole
PubChem CID18695356
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-[4-(oxiran-2-yl)cyclohexyl]-1H-imidazole
SMILESc1c[nH]c(C2CCC(C3CO3)CC2)n1
InChIInChI=1S/C11H16N2O/c1-3-9(11-12-5-6-13-11)4-2-8(1)10-7-14-10/h5-6,8-10H,1-4,7H2,(H,12,13)
InChIKeyTTXMBBJAIXOYOG-UHFFFAOYSA-N
XLogP2.08
TPSA41.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
CID 164635126
N-[6-(3-fluoropropoxy)-2-methylheptyl]-1H-imidazol-2-amine
CID 146245938
4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine
CID 45220940
3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]tridecan-2-ol
CID 91217998
3-cyclohexyl-1-(1H-imidazol-2-yl)propan-1-ol
CID 17913114
4-(1H-imidazol-2-yl)cyclohexan-1-ol
CID 18695351
4-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol
CID 18695365
2-Imidazolylcyclohexanol
CID 19908895
2-(1H-imidazol-2-yl)cycloheptan-1-ol
CID 19908898
2-(2-methoxycycloheptyl)-1H-imidazole
CID 57102708
2-[3-(oxan-3-yl)propyl]-1H-imidazole
CID 57106103
3-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol
CID 57156183

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxiran-2-yl)cyclohexyl]-1H-imidazole?
The IUPAC name of 2-[4-(oxiran-2-yl)cyclohexyl]-1H-imidazole (CID 18695356) is 2-[4-(oxiran-2-yl)cyclohexyl]-1H-imidazole.
What is the SMILES notation for 2-[4-(oxiran-2-yl)cyclohexyl]-1H-imidazole?
The canonical SMILES for 2-[4-(oxiran-2-yl)cyclohexyl]-1H-imidazole is c1c[nH]c(C2CCC(C3CO3)CC2)n1.
What is the InChIKey of 2-[4-(oxiran-2-yl)cyclohexyl]-1H-imidazole?
The InChIKey is TTXMBBJAIXOYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-9(11-12-5-6-13-11)4-2-8(1)10-7-14-10/h5-6,8-10H,1-4,7H2,(H,12,13).
What are the key properties of 2-[4-(oxiran-2-yl)cyclohexyl]-1H-imidazole?
2-[4-(oxiran-2-yl)cyclohexyl]-1H-imidazole has a molecular weight of 192.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxiran-2-yl)cyclohexyl]-1H-imidazole is sourced from PubChem (CID 18695356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).