1-benzyl-5-(4-chlorophenyl)-4-(furan-2-yl)-2-propan-2-ylimidazole

C23H21ClN2O — CID 122227303

IUPAC1-benzyl-5-(4-chlorophenyl)-4-(furan-2-yl)-2-propan-2-ylimidazole
SMILESCC(C)c1nc(-c2ccco2)c(-c2ccc(Cl)cc2)n1Cc1ccccc1
InChIInChI=1S/C23H21ClN2O/c1-16(2)23-25-21(20-9-6-14-27-20)22(18-10-12-19(24)13-11-18)26(23)15-17-7-4-3-5-8-17/h3-14,16H,15H2,1-2H3
InChIKeyPZFKCCMDSZKRME-UHFFFAOYSA-N
MW376.89 g/mol
LogP6.64
Rot. Bonds5

About 1-benzyl-5-(4-chlorophenyl)-4-(furan-2-yl)-2-propan-2-ylimidazole

1-benzyl-5-(4-chlorophenyl)-4-(furan-2-yl)-2-propan-2-ylimidazole (PubChem CID 122227303) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is 1-benzyl-5-(4-chlorophenyl)-4-(furan-2-yl)-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-benzyl-5-(4-chlorophenyl)-4-(furan-2-yl)-2-propan-2-ylimidazole
PubChem CID122227303
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name1-benzyl-5-(4-chlorophenyl)-4-(furan-2-yl)-2-propan-2-ylimidazole
SMILESCC(C)c1nc(-c2ccco2)c(-c2ccc(Cl)cc2)n1Cc1ccccc1
InChIInChI=1S/C23H21ClN2O/c1-16(2)23-25-21(20-9-6-14-27-20)22(18-10-12-19(24)13-11-18)26(23)15-17-7-4-3-5-8-17/h3-14,16H,15H2,1-2H3
InChIKeyPZFKCCMDSZKRME-UHFFFAOYSA-N
XLogP6.64
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole
CID 102274301
3-[(4-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
CID 3833514
1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole
CID 168525844
6-chloro-1-(furan-2-ylmethyl)-2-propan-2-ylbenzimidazole
CID 46310200
3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine
CID 63469463
1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-propan-2-ylimidazole
CID 91224849
1-benzyl-4-methyl-2,5-di(propan-2-yl)imidazole
CID 167352865
5,6-bis(4-chlorophenyl)-1-phenyl-3-propan-2-ylimidazo[5,1-a]isoquinoline
CID 168875275
(2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol
CID 95128424
2,5-bis(4-chlorophenyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]imidazole
CID 3732902
1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole
CID 17000154
5-(4-chlorophenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine
CID 62219998

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(4-chlorophenyl)-4-(furan-2-yl)-2-propan-2-ylimidazole?
The IUPAC name of 1-benzyl-5-(4-chlorophenyl)-4-(furan-2-yl)-2-propan-2-ylimidazole (CID 122227303) is 1-benzyl-5-(4-chlorophenyl)-4-(furan-2-yl)-2-propan-2-ylimidazole.
What is the SMILES notation for 1-benzyl-5-(4-chlorophenyl)-4-(furan-2-yl)-2-propan-2-ylimidazole?
The canonical SMILES for 1-benzyl-5-(4-chlorophenyl)-4-(furan-2-yl)-2-propan-2-ylimidazole is CC(C)c1nc(-c2ccco2)c(-c2ccc(Cl)cc2)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(4-chlorophenyl)-4-(furan-2-yl)-2-propan-2-ylimidazole?
The InChIKey is PZFKCCMDSZKRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O/c1-16(2)23-25-21(20-9-6-14-27-20)22(18-10-12-19(24)13-11-18)26(23)15-17-7-4-3-5-8-17/h3-14,16H,15H2,1-2H3.
What are the key properties of 1-benzyl-5-(4-chlorophenyl)-4-(furan-2-yl)-2-propan-2-ylimidazole?
1-benzyl-5-(4-chlorophenyl)-4-(furan-2-yl)-2-propan-2-ylimidazole has a molecular weight of 376.89 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(4-chlorophenyl)-4-(furan-2-yl)-2-propan-2-ylimidazole is sourced from PubChem (CID 122227303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).