1-benzyl-5-[3,3-bis(3-methylphenyl)prop-1-en-2-yl]imidazole

C27H26N2 — CID 19904252

IUPAC1-benzyl-5-[3,3-bis(3-methylphenyl)prop-1-en-2-yl]imidazole
SMILESC=C(c1cncn1Cc1ccccc1)C(c1cccc(C)c1)c1cccc(C)c1
InChIInChI=1S/C27H26N2/c1-20-9-7-13-24(15-20)27(25-14-8-10-21(2)16-25)22(3)26-17-28-19-29(26)18-23-11-5-4-6-12-23/h4-17,19,27H,3,18H2,1-2H3
InChIKeyUOQDMVIYXDRYFS-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.39
Rot. Bonds6

About 1-benzyl-5-[3,3-bis(3-methylphenyl)prop-1-en-2-yl]imidazole

1-benzyl-5-[3,3-bis(3-methylphenyl)prop-1-en-2-yl]imidazole (PubChem CID 19904252) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-benzyl-5-[3,3-bis(3-methylphenyl)prop-1-en-2-yl]imidazole.

Molecular Properties

Compound Name1-benzyl-5-[3,3-bis(3-methylphenyl)prop-1-en-2-yl]imidazole
PubChem CID19904252
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name1-benzyl-5-[3,3-bis(3-methylphenyl)prop-1-en-2-yl]imidazole
SMILESC=C(c1cncn1Cc1ccccc1)C(c1cccc(C)c1)c1cccc(C)c1
InChIInChI=1S/C27H26N2/c1-20-9-7-13-24(15-20)27(25-14-8-10-21(2)16-25)22(3)26-17-28-19-29(26)18-23-11-5-4-6-12-23/h4-17,19,27H,3,18H2,1-2H3
InChIKeyUOQDMVIYXDRYFS-UHFFFAOYSA-N
XLogP6.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[3,3-bis(3-methylphenyl)prop-1-en-2-yl]imidazole?
The IUPAC name of 1-benzyl-5-[3,3-bis(3-methylphenyl)prop-1-en-2-yl]imidazole (CID 19904252) is 1-benzyl-5-[3,3-bis(3-methylphenyl)prop-1-en-2-yl]imidazole.
What is the SMILES notation for 1-benzyl-5-[3,3-bis(3-methylphenyl)prop-1-en-2-yl]imidazole?
The canonical SMILES for 1-benzyl-5-[3,3-bis(3-methylphenyl)prop-1-en-2-yl]imidazole is C=C(c1cncn1Cc1ccccc1)C(c1cccc(C)c1)c1cccc(C)c1.
What is the InChIKey of 1-benzyl-5-[3,3-bis(3-methylphenyl)prop-1-en-2-yl]imidazole?
The InChIKey is UOQDMVIYXDRYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-20-9-7-13-24(15-20)27(25-14-8-10-21(2)16-25)22(3)26-17-28-19-29(26)18-23-11-5-4-6-12-23/h4-17,19,27H,3,18H2,1-2H3.
What are the key properties of 1-benzyl-5-[3,3-bis(3-methylphenyl)prop-1-en-2-yl]imidazole?
1-benzyl-5-[3,3-bis(3-methylphenyl)prop-1-en-2-yl]imidazole has a molecular weight of 378.52 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[3,3-bis(3-methylphenyl)prop-1-en-2-yl]imidazole is sourced from PubChem (CID 19904252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).