5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one

C22H27N3O2 — CID 10546806

IUPAC5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C22H27N3O2/c1-25(12-11-15-9-10-19-20(13-15)24-22(26)23-19)14-16-5-3-7-18-17(16)6-4-8-21(18)27-2/h4,6,8-10,13,16H,3,5,7,11-12,14H2,1-2H3,(H2,23,24,26)/t16-/m0/s1
InChIKeyATYZPEFHXRASDC-INIZCTEOSA-N
MW365.48 g/mol
LogP3.46
Rot. Bonds6

About 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one

5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 10546806) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID10546806
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C22H27N3O2/c1-25(12-11-15-9-10-19-20(13-15)24-22(26)23-19)14-16-5-3-7-18-17(16)6-4-8-21(18)27-2/h4,6,8-10,13,16H,3,5,7,11-12,14H2,1-2H3,(H2,23,24,26)/t16-/m0/s1
InChIKeyATYZPEFHXRASDC-INIZCTEOSA-N
XLogP3.46
TPSA61.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (CID 10546806) is 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ATYZPEFHXRASDC-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-25(12-11-15-9-10-19-20(13-15)24-22(26)23-19)14-16-5-3-7-18-17(16)6-4-8-21(18)27-2/h4,6,8-10,13,16H,3,5,7,11-12,14H2,1-2H3,(H2,23,24,26)/t16-/m0/s1.
What are the key properties of 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 365.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 10546806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).