1,3-bis(1,3-dimethylnaphthalen-2-yl)imidazolidine

C27H28N2 — CID 68962519

IUPAC1,3-bis(1,3-dimethylnaphthalen-2-yl)imidazolidine
SMILESCc1cc2ccccc2c(C)c1N1CCN(c2c(C)cc3ccccc3c2C)C1
InChIInChI=1S/C27H28N2/c1-18-15-22-9-5-7-11-24(22)20(3)26(18)28-13-14-29(17-28)27-19(2)16-23-10-6-8-12-25(23)21(27)4/h5-12,15-16H,13-14,17H2,1-4H3
InChIKeyPKIUJISLZCDIKO-UHFFFAOYSA-N
MW380.54 g/mol
LogP6.51
Rot. Bonds2

About 1,3-bis(1,3-dimethylnaphthalen-2-yl)imidazolidine

1,3-bis(1,3-dimethylnaphthalen-2-yl)imidazolidine (PubChem CID 68962519) has the molecular formula C27H28N2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 1,3-bis(1,3-dimethylnaphthalen-2-yl)imidazolidine.

Molecular Properties

Compound Name1,3-bis(1,3-dimethylnaphthalen-2-yl)imidazolidine
PubChem CID68962519
Molecular FormulaC27H28N2
Molecular Weight380.54 g/mol
Exact Mass380.23
IUPAC Name1,3-bis(1,3-dimethylnaphthalen-2-yl)imidazolidine
SMILESCc1cc2ccccc2c(C)c1N1CCN(c2c(C)cc3ccccc3c2C)C1
InChIInChI=1S/C27H28N2/c1-18-15-22-9-5-7-11-24(22)20(3)26(18)28-13-14-29(17-28)27-19(2)16-23-10-6-8-12-25(23)21(27)4/h5-12,15-16H,13-14,17H2,1-4H3
InChIKeyPKIUJISLZCDIKO-UHFFFAOYSA-N
XLogP6.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1,3-dimethylnaphthalen-2-yl)imidazolidine?
The IUPAC name of 1,3-bis(1,3-dimethylnaphthalen-2-yl)imidazolidine (CID 68962519) is 1,3-bis(1,3-dimethylnaphthalen-2-yl)imidazolidine.
What is the SMILES notation for 1,3-bis(1,3-dimethylnaphthalen-2-yl)imidazolidine?
The canonical SMILES for 1,3-bis(1,3-dimethylnaphthalen-2-yl)imidazolidine is Cc1cc2ccccc2c(C)c1N1CCN(c2c(C)cc3ccccc3c2C)C1.
What is the InChIKey of 1,3-bis(1,3-dimethylnaphthalen-2-yl)imidazolidine?
The InChIKey is PKIUJISLZCDIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2/c1-18-15-22-9-5-7-11-24(22)20(3)26(18)28-13-14-29(17-28)27-19(2)16-23-10-6-8-12-25(23)21(27)4/h5-12,15-16H,13-14,17H2,1-4H3.
What are the key properties of 1,3-bis(1,3-dimethylnaphthalen-2-yl)imidazolidine?
1,3-bis(1,3-dimethylnaphthalen-2-yl)imidazolidine has a molecular weight of 380.54 g/mol, XLogP of 6.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1,3-dimethylnaphthalen-2-yl)imidazolidine is sourced from PubChem (CID 68962519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).