2-cyclohexyl-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole

C16H27N3 — CID 95227992

IUPAC2-cyclohexyl-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole
SMILESCN1CCC[C@@H]1CCn1ccnc1C1CCCCC1
InChIInChI=1S/C16H27N3/c1-18-11-5-8-15(18)9-12-19-13-10-17-16(19)14-6-3-2-4-7-14/h10,13-15H,2-9,11-12H2,1H3/t15-/m1/s1
InChIKeyXSWCFUAPNRYTKN-OAHLLOKOSA-N
MW261.41 g/mol
LogP3.42
Rot. Bonds4

About 2-cyclohexyl-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole

2-cyclohexyl-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole (PubChem CID 95227992) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-cyclohexyl-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole.

Molecular Properties

Compound Name2-cyclohexyl-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole
PubChem CID95227992
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-cyclohexyl-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole
SMILESCN1CCC[C@@H]1CCn1ccnc1C1CCCCC1
InChIInChI=1S/C16H27N3/c1-18-11-5-8-15(18)9-12-19-13-10-17-16(19)14-6-3-2-4-7-14/h10,13-15H,2-9,11-12H2,1H3/t15-/m1/s1
InChIKeyXSWCFUAPNRYTKN-OAHLLOKOSA-N
XLogP3.42
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole?
The IUPAC name of 2-cyclohexyl-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole (CID 95227992) is 2-cyclohexyl-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole.
What is the SMILES notation for 2-cyclohexyl-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole?
The canonical SMILES for 2-cyclohexyl-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole is CN1CCC[C@@H]1CCn1ccnc1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole?
The InChIKey is XSWCFUAPNRYTKN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H27N3/c1-18-11-5-8-15(18)9-12-19-13-10-17-16(19)14-6-3-2-4-7-14/h10,13-15H,2-9,11-12H2,1H3/t15-/m1/s1.
What are the key properties of 2-cyclohexyl-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole?
2-cyclohexyl-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole has a molecular weight of 261.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole is sourced from PubChem (CID 95227992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).