[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-5-methoxybenzimidazol-1-yl)acetate

C22H32N2O3 — CID 129230641

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-5-methoxybenzimidazol-1-yl)acetate
SMILESCCc1nc2cc(OC)ccc2n1CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C22H32N2O3/c1-6-21-23-18-12-16(26-5)8-10-19(18)24(21)13-22(25)27-20-11-15(4)7-9-17(20)14(2)3/h8,10,12,14-15,17,20H,6-7,9,11,13H2,1-5H3/t15-,17+,20-/m1/s1
InChIKeyUUGJZHOWQMCOIY-OXFYSEKESA-N
MW372.51 g/mol
LogP4.61
Rot. Bonds6

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-5-methoxybenzimidazol-1-yl)acetate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-5-methoxybenzimidazol-1-yl)acetate (PubChem CID 129230641) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-5-methoxybenzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-5-methoxybenzimidazol-1-yl)acetate
PubChem CID129230641
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-5-methoxybenzimidazol-1-yl)acetate
SMILESCCc1nc2cc(OC)ccc2n1CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C22H32N2O3/c1-6-21-23-18-12-16(26-5)8-10-19(18)24(21)13-22(25)27-20-11-15(4)7-9-17(20)14(2)3/h8,10,12,14-15,17,20H,6-7,9,11,13H2,1-5H3/t15-,17+,20-/m1/s1
InChIKeyUUGJZHOWQMCOIY-OXFYSEKESA-N
XLogP4.61
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-5-methoxybenzimidazol-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(5-bromo-2-ethylbenzimidazol-1-yl)acetate
CID 129231017
[(5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethylbenzimidazol-1-yl)acetate
CID 129230372
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(8-ethylpurin-7-yl)acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(8-ethylpurin-9-yl)acetate
CID 162144974
(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methoxypyridin-1-ium-1-yl)acetate
CID 58592321
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 11918445
[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetate
CID 129230731
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetate
CID 129230634
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate
CID 101189458
[(1R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[2-[3-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate
CID 129230422
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 7897484
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-6-isocyano-3-methylbenzimidazol-3-ium-1-yl)acetate iodide
CID 160664829
[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[2-(4-nitrophenyl)benzimidazol-1-yl]acetate
CID 129230703

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-5-methoxybenzimidazol-1-yl)acetate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-5-methoxybenzimidazol-1-yl)acetate (CID 129230641) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-5-methoxybenzimidazol-1-yl)acetate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-5-methoxybenzimidazol-1-yl)acetate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-5-methoxybenzimidazol-1-yl)acetate is CCc1nc2cc(OC)ccc2n1CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-5-methoxybenzimidazol-1-yl)acetate?
The InChIKey is UUGJZHOWQMCOIY-OXFYSEKESA-N. The full InChI is InChI=1S/C22H32N2O3/c1-6-21-23-18-12-16(26-5)8-10-19(18)24(21)13-22(25)27-20-11-15(4)7-9-17(20)14(2)3/h8,10,12,14-15,17,20H,6-7,9,11,13H2,1-5H3/t15-,17+,20-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-5-methoxybenzimidazol-1-yl)acetate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-5-methoxybenzimidazol-1-yl)acetate has a molecular weight of 372.51 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-5-methoxybenzimidazol-1-yl)acetate is sourced from PubChem (CID 129230641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).