1-methyl-4-(2-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]imidazole

C20H21N3 — CID 172688853

IUPAC1-methyl-4-(2-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCn1cc(-c2ccccc2-c2ccccc2)nc1[C@@H]1CCCN1
InChIInChI=1S/C20H21N3/c1-23-14-19(22-20(23)18-12-7-13-21-18)17-11-6-5-10-16(17)15-8-3-2-4-9-15/h2-6,8-11,14,18,21H,7,12-13H2,1H3/t18-/m0/s1
InChIKeyBKALRYXQWTXCGH-SFHVURJKSA-N
MW303.41 g/mol
LogP4.18
Rot. Bonds3

About 1-methyl-4-(2-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]imidazole

1-methyl-4-(2-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]imidazole (PubChem CID 172688853) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-methyl-4-(2-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-methyl-4-(2-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]imidazole
PubChem CID172688853
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name1-methyl-4-(2-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCn1cc(-c2ccccc2-c2ccccc2)nc1[C@@H]1CCCN1
InChIInChI=1S/C20H21N3/c1-23-14-19(22-20(23)18-12-7-13-21-18)17-11-6-5-10-16(17)15-8-3-2-4-9-15/h2-6,8-11,14,18,21H,7,12-13H2,1H3/t18-/m0/s1
InChIKeyBKALRYXQWTXCGH-SFHVURJKSA-N
XLogP4.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]imidazole?
The IUPAC name of 1-methyl-4-(2-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]imidazole (CID 172688853) is 1-methyl-4-(2-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-methyl-4-(2-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-methyl-4-(2-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]imidazole is Cn1cc(-c2ccccc2-c2ccccc2)nc1[C@@H]1CCCN1.
What is the InChIKey of 1-methyl-4-(2-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]imidazole?
The InChIKey is BKALRYXQWTXCGH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N3/c1-23-14-19(22-20(23)18-12-7-13-21-18)17-11-6-5-10-16(17)15-8-3-2-4-9-15/h2-6,8-11,14,18,21H,7,12-13H2,1H3/t18-/m0/s1.
What are the key properties of 1-methyl-4-(2-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]imidazole?
1-methyl-4-(2-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]imidazole has a molecular weight of 303.41 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 172688853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).