(4S,5S)-2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-diphenyl-4,5-dihydro-1H-imidazole

C25H23FN2 — CID 134940769

IUPAC(4S,5S)-2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1c(C2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2)ccc2c1CCCC2
InChIInChI=1S/C25H23FN2/c26-22-20-14-8-7-9-17(20)15-16-21(22)25-27-23(18-10-3-1-4-11-18)24(28-25)19-12-5-2-6-13-19/h1-6,10-13,15-16,23-24H,7-9,14H2,(H,27,28)/t23-,24-/m0/s1
InChIKeyJDBXNWQLAAXNMW-ZEQRLZLVSA-N
MW370.47 g/mol
LogP5.54
Rot. Bonds3

About (4S,5S)-2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-diphenyl-4,5-dihydro-1H-imidazole

(4S,5S)-2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 134940769) has the molecular formula C25H23FN2 and a molecular weight of 370.47 g/mol. Its IUPAC name is (4S,5S)-2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5S)-2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID134940769
Molecular FormulaC25H23FN2
Molecular Weight370.47 g/mol
Exact Mass370.18
IUPAC Name(4S,5S)-2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1c(C2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2)ccc2c1CCCC2
InChIInChI=1S/C25H23FN2/c26-22-20-14-8-7-9-17(20)15-16-21(22)25-27-23(18-10-3-1-4-11-18)24(28-25)19-12-5-2-6-13-19/h1-6,10-13,15-16,23-24H,7-9,14H2,(H,27,28)/t23-,24-/m0/s1
InChIKeyJDBXNWQLAAXNMW-ZEQRLZLVSA-N
XLogP5.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.47
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benazoline
CID 11769428
2-(1-Naphthalenyl)-2-imidazoline
CID 26137
2,4,4-Triphenylimidazoline
CID 22054806
2,4,5-Triphenyl-2-imidazoline
CID 101777
2-(3-fluorophenyl)-4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 9924627
4,4-bis(4-fluorophenyl)-2-m-tolyl-4,5-dihydro-1H-imidazole
CID 10154767
4,4-bis(4-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-imidazole
CID 10294504
(4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
CID 11188163
(4R,5S)-2-[(2-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11209712
(4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole
CID 11294314
(4R,5S)-2-[2-(2-fluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11416652
(4R,5S)-4,5-diphenyl-2-(3-phenylpropyl)-4,5-dihydro-1H-imidazole
CID 11442400

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5S)-2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 134940769) is (4S,5S)-2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5S)-2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5S)-2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-diphenyl-4,5-dihydro-1H-imidazole is Fc1c(C2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2)ccc2c1CCCC2.
What is the InChIKey of (4S,5S)-2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is JDBXNWQLAAXNMW-ZEQRLZLVSA-N. The full InChI is InChI=1S/C25H23FN2/c26-22-20-14-8-7-9-17(20)15-16-21(22)25-27-23(18-10-3-1-4-11-18)24(28-25)19-12-5-2-6-13-19/h1-6,10-13,15-16,23-24H,7-9,14H2,(H,27,28)/t23-,24-/m0/s1.
What are the key properties of (4S,5S)-2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4S,5S)-2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 370.47 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 134940769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).