2-[4-(4-tert-butylphenyl)-3-(2-methoxyethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole

C26H30N2O2 — CID 18476336

IUPAC2-[4-(4-tert-butylphenyl)-3-(2-methoxyethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole
SMILESCOCCOc1c(C2=NCCN2)cc2ccccc2c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H30N2O2/c1-26(2,3)20-11-9-18(10-12-20)23-21-8-6-5-7-19(21)17-22(25-27-13-14-28-25)24(23)30-16-15-29-4/h5-12,17H,13-16H2,1-4H3,(H,27,28)
InChIKeyPYWRXBCHJSMXJD-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.18
Rot. Bonds6

About 2-[4-(4-tert-butylphenyl)-3-(2-methoxyethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole

2-[4-(4-tert-butylphenyl)-3-(2-methoxyethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole (PubChem CID 18476336) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)-3-(2-methoxyethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)-3-(2-methoxyethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole
PubChem CID18476336
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name2-[4-(4-tert-butylphenyl)-3-(2-methoxyethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole
SMILESCOCCOc1c(C2=NCCN2)cc2ccccc2c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H30N2O2/c1-26(2,3)20-11-9-18(10-12-20)23-21-8-6-5-7-19(21)17-22(25-27-13-14-28-25)24(23)30-16-15-29-4/h5-12,17H,13-16H2,1-4H3,(H,27,28)
InChIKeyPYWRXBCHJSMXJD-UHFFFAOYSA-N
XLogP5.18
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-methoxyethoxy)-7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 57447579
2-[4-chloro-3-(2-methoxyethoxy)-7-thiophen-3-ylnaphthalen-2-yl]-4,5-dihydro-1H-imidazole
CID 10126516
2-[4-(2-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82242139
9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
2-(4-naphthalen-1-ylphenyl)-4,5-dihydro-1H-imidazole
CID 10221130
1,2-bis(4-tert-butylphenyl)naphthalene
CID 163894539
2-[2-(methoxymethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 82241061
2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene
CID 141284541
10,18-bis(4-tert-butylphenyl)-N-[(1S)-1-naphthalen-1-ylethyl]-13,15-diazapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,13,18,20,22,24-undecaen-14-amine
CID 102413895
10,16-bis(4-tert-butylphenyl)-13,13-dimethyl-13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 58321082
2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid
CID 70504113
2-[3-(1-benzothiophen-3-yl)-4-(4-tert-butylphenyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole
CID 57096784

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)-3-(2-methoxyethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-(4-tert-butylphenyl)-3-(2-methoxyethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole (CID 18476336) is 2-[4-(4-tert-butylphenyl)-3-(2-methoxyethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)-3-(2-methoxyethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)-3-(2-methoxyethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole is COCCOc1c(C2=NCCN2)cc2ccccc2c1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)-3-(2-methoxyethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is PYWRXBCHJSMXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-26(2,3)20-11-9-18(10-12-20)23-21-8-6-5-7-19(21)17-22(25-27-13-14-28-25)24(23)30-16-15-29-4/h5-12,17H,13-16H2,1-4H3,(H,27,28).
What are the key properties of 2-[4-(4-tert-butylphenyl)-3-(2-methoxyethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole?
2-[4-(4-tert-butylphenyl)-3-(2-methoxyethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 402.54 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)-3-(2-methoxyethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 18476336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).