1-[[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl]-3-methylimidazolidine

C27H28N2 — CID 142084618

IUPAC1-[[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl]-3-methylimidazolidine
SMILESCCc1ccc2ccccc2c1-c1c(CN2CCN(C)C2)ccc2ccccc12
InChIInChI=1S/C27H28N2/c1-3-20-12-13-21-8-4-6-10-24(21)26(20)27-23(18-29-17-16-28(2)19-29)15-14-22-9-5-7-11-25(22)27/h4-15H,3,16-19H2,1-2H3
InChIKeyKPAHNYUGNMAKEJ-UHFFFAOYSA-N
MW380.54 g/mol
LogP5.93
Rot. Bonds4

About 1-[[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl]-3-methylimidazolidine

1-[[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl]-3-methylimidazolidine (PubChem CID 142084618) has the molecular formula C27H28N2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-[[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl]-3-methylimidazolidine.

Molecular Properties

Compound Name1-[[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl]-3-methylimidazolidine
PubChem CID142084618
Molecular FormulaC27H28N2
Molecular Weight380.54 g/mol
Exact Mass380.23
IUPAC Name1-[[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl]-3-methylimidazolidine
SMILESCCc1ccc2ccccc2c1-c1c(CN2CCN(C)C2)ccc2ccccc12
InChIInChI=1S/C27H28N2/c1-3-20-12-13-21-8-4-6-10-24(21)26(20)27-23(18-29-17-16-28(2)19-29)15-14-22-9-5-7-11-25(22)27/h4-15H,3,16-19H2,1-2H3
InChIKeyKPAHNYUGNMAKEJ-UHFFFAOYSA-N
XLogP5.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-methylimidazolidine
CID 129042674
[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane
CID 159069423
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
2-propyl-1-(2-propylnaphthalen-1-yl)naphthalene
CID 59336410
1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene
CID 11754993
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
(9aR)-2-[(2-ethylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 99951289
2-ethyl-1-(2-ethylnaphthalen-1-yl)oxynaphthalene
CID 23191166
CID 69106852
CID 69106852
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol
CID 175567947

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl]-3-methylimidazolidine?
The IUPAC name of 1-[[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl]-3-methylimidazolidine (CID 142084618) is 1-[[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl]-3-methylimidazolidine.
What is the SMILES notation for 1-[[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl]-3-methylimidazolidine?
The canonical SMILES for 1-[[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl]-3-methylimidazolidine is CCc1ccc2ccccc2c1-c1c(CN2CCN(C)C2)ccc2ccccc12.
What is the InChIKey of 1-[[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl]-3-methylimidazolidine?
The InChIKey is KPAHNYUGNMAKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2/c1-3-20-12-13-21-8-4-6-10-24(21)26(20)27-23(18-29-17-16-28(2)19-29)15-14-22-9-5-7-11-25(22)27/h4-15H,3,16-19H2,1-2H3.
What are the key properties of 1-[[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl]-3-methylimidazolidine?
1-[[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl]-3-methylimidazolidine has a molecular weight of 380.54 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl]-3-methylimidazolidine is sourced from PubChem (CID 142084618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).