(4R,5S)-4,5-bis(4-methylphenyl)-2-(2-methyl-2-phenylpropyl)-4,5-dihydro-1H-imidazole

C27H30N2 — CID 11202773

IUPAC(4R,5S)-4,5-bis(4-methylphenyl)-2-(2-methyl-2-phenylpropyl)-4,5-dihydro-1H-imidazole
SMILESCc1ccc([C@H]2N=C(CC(C)(C)c3ccccc3)N[C@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C27H30N2/c1-19-10-14-21(15-11-19)25-26(22-16-12-20(2)13-17-22)29-24(28-25)18-27(3,4)23-8-6-5-7-9-23/h5-17,25-26H,18H2,1-4H3,(H,28,29)/t25-,26+
InChIKeyRVPHYWPSGZYCKS-WMPKNSHKSA-N
MW382.55 g/mol
LogP6.46
Rot. Bonds5

About (4R,5S)-4,5-bis(4-methylphenyl)-2-(2-methyl-2-phenylpropyl)-4,5-dihydro-1H-imidazole

(4R,5S)-4,5-bis(4-methylphenyl)-2-(2-methyl-2-phenylpropyl)-4,5-dihydro-1H-imidazole (PubChem CID 11202773) has the molecular formula C27H30N2 and a molecular weight of 382.55 g/mol. Its IUPAC name is (4R,5S)-4,5-bis(4-methylphenyl)-2-(2-methyl-2-phenylpropyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-4,5-bis(4-methylphenyl)-2-(2-methyl-2-phenylpropyl)-4,5-dihydro-1H-imidazole
PubChem CID11202773
Molecular FormulaC27H30N2
Molecular Weight382.55 g/mol
Exact Mass382.24
IUPAC Name(4R,5S)-4,5-bis(4-methylphenyl)-2-(2-methyl-2-phenylpropyl)-4,5-dihydro-1H-imidazole
SMILESCc1ccc([C@H]2N=C(CC(C)(C)c3ccccc3)N[C@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C27H30N2/c1-19-10-14-21(15-11-19)25-26(22-16-12-20(2)13-17-22)29-24(28-25)18-27(3,4)23-8-6-5-7-9-23/h5-17,25-26H,18H2,1-4H3,(H,28,29)/t25-,26+
InChIKeyRVPHYWPSGZYCKS-WMPKNSHKSA-N
XLogP6.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-bis(4-methylphenyl)-2-(2-methyl-2-phenylpropyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-4,5-bis(4-methylphenyl)-2-(2-methyl-2-phenylpropyl)-4,5-dihydro-1H-imidazole (CID 11202773) is (4R,5S)-4,5-bis(4-methylphenyl)-2-(2-methyl-2-phenylpropyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-4,5-bis(4-methylphenyl)-2-(2-methyl-2-phenylpropyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-4,5-bis(4-methylphenyl)-2-(2-methyl-2-phenylpropyl)-4,5-dihydro-1H-imidazole is Cc1ccc([C@H]2N=C(CC(C)(C)c3ccccc3)N[C@H]2c2ccc(C)cc2)cc1.
What is the InChIKey of (4R,5S)-4,5-bis(4-methylphenyl)-2-(2-methyl-2-phenylpropyl)-4,5-dihydro-1H-imidazole?
The InChIKey is RVPHYWPSGZYCKS-WMPKNSHKSA-N. The full InChI is InChI=1S/C27H30N2/c1-19-10-14-21(15-11-19)25-26(22-16-12-20(2)13-17-22)29-24(28-25)18-27(3,4)23-8-6-5-7-9-23/h5-17,25-26H,18H2,1-4H3,(H,28,29)/t25-,26+.
What are the key properties of (4R,5S)-4,5-bis(4-methylphenyl)-2-(2-methyl-2-phenylpropyl)-4,5-dihydro-1H-imidazole?
(4R,5S)-4,5-bis(4-methylphenyl)-2-(2-methyl-2-phenylpropyl)-4,5-dihydro-1H-imidazole has a molecular weight of 382.55 g/mol, XLogP of 6.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-bis(4-methylphenyl)-2-(2-methyl-2-phenylpropyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11202773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).