1-[(3R)-3-methoxycyclohexyl]imidazole

C10H16N2O — CID 175222056

IUPAC1-[(3R)-3-methoxycyclohexyl]imidazole
SMILESCO[C@@H]1CCCC(n2ccnc2)C1
InChIInChI=1S/C10H16N2O/c1-13-10-4-2-3-9(7-10)12-6-5-11-8-12/h5-6,8-10H,2-4,7H2,1H3/t9?,10-/m1/s1
InChIKeyNOBXGZWHMDIEKP-QVDQXJPCSA-N
MW180.25 g/mol
LogP2.01
Rot. Bonds2

About 1-[(3R)-3-methoxycyclohexyl]imidazole

1-[(3R)-3-methoxycyclohexyl]imidazole (PubChem CID 175222056) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[(3R)-3-methoxycyclohexyl]imidazole.

Molecular Properties

Compound Name1-[(3R)-3-methoxycyclohexyl]imidazole
PubChem CID175222056
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-[(3R)-3-methoxycyclohexyl]imidazole
SMILESCO[C@@H]1CCCC(n2ccnc2)C1
InChIInChI=1S/C10H16N2O/c1-13-10-4-2-3-9(7-10)12-6-5-11-8-12/h5-6,8-10H,2-4,7H2,1H3/t9?,10-/m1/s1
InChIKeyNOBXGZWHMDIEKP-QVDQXJPCSA-N
XLogP2.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methoxycyclohexyl]imidazole?
The IUPAC name of 1-[(3R)-3-methoxycyclohexyl]imidazole (CID 175222056) is 1-[(3R)-3-methoxycyclohexyl]imidazole.
What is the SMILES notation for 1-[(3R)-3-methoxycyclohexyl]imidazole?
The canonical SMILES for 1-[(3R)-3-methoxycyclohexyl]imidazole is CO[C@@H]1CCCC(n2ccnc2)C1.
What is the InChIKey of 1-[(3R)-3-methoxycyclohexyl]imidazole?
The InChIKey is NOBXGZWHMDIEKP-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H16N2O/c1-13-10-4-2-3-9(7-10)12-6-5-11-8-12/h5-6,8-10H,2-4,7H2,1H3/t9?,10-/m1/s1.
What are the key properties of 1-[(3R)-3-methoxycyclohexyl]imidazole?
1-[(3R)-3-methoxycyclohexyl]imidazole has a molecular weight of 180.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methoxycyclohexyl]imidazole is sourced from PubChem (CID 175222056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).