2-[(1S)-2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole

C20H22N2 — CID 101491042

IUPAC2-[(1S)-2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C2=NCCN2)cc1
InChIInChI=1S/C20H22N2/c1-14-3-7-16(8-4-14)20(17-9-5-15(2)6-10-17)13-18(20)19-21-11-12-22-19/h3-10,18H,11-13H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyGRQFPWLDKSKOJU-GOSISDBHSA-N
MW290.41 g/mol
LogP3.61
Rot. Bonds3

About 2-[(1S)-2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole

2-[(1S)-2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole (PubChem CID 101491042) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(1S)-2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(1S)-2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole
PubChem CID101491042
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name2-[(1S)-2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C2=NCCN2)cc1
InChIInChI=1S/C20H22N2/c1-14-3-7-16(8-4-14)20(17-9-5-15(2)6-10-17)13-18(20)19-21-11-12-22-19/h3-10,18H,11-13H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyGRQFPWLDKSKOJU-GOSISDBHSA-N
XLogP3.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(1S)-2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole (CID 101491042) is 2-[(1S)-2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(1S)-2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(1S)-2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole is Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C2=NCCN2)cc1.
What is the InChIKey of 2-[(1S)-2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole?
The InChIKey is GRQFPWLDKSKOJU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2/c1-14-3-7-16(8-4-14)20(17-9-5-15(2)6-10-17)13-18(20)19-21-11-12-22-19/h3-10,18H,11-13H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of 2-[(1S)-2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole?
2-[(1S)-2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole has a molecular weight of 290.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 101491042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).