4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole

C26H25ClN2 — CID 164901726

IUPAC4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole
SMILESCC(C)(C)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)cn1
InChIInChI=1S/C26H25ClN2/c1-25(2,3)24-18-29(19-28-24)26(20-12-6-4-7-13-20,21-14-8-5-9-15-21)22-16-10-11-17-23(22)27/h4-19H,1-3H3
InChIKeySYGCVDYYFZXZMK-UHFFFAOYSA-N
MW400.95 g/mol
LogP6.67
Rot. Bonds4

About 4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole

4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole (PubChem CID 164901726) has the molecular formula C26H25ClN2 and a molecular weight of 400.95 g/mol. Its IUPAC name is 4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole.

Molecular Properties

Compound Name4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole
PubChem CID164901726
Molecular FormulaC26H25ClN2
Molecular Weight400.95 g/mol
Exact Mass400.17
IUPAC Name4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole
SMILESCC(C)(C)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)cn1
InChIInChI=1S/C26H25ClN2/c1-25(2,3)24-18-29(19-28-24)26(20-12-6-4-7-13-20,21-14-8-5-9-15-21)22-16-10-11-17-23(22)27/h4-19H,1-3H3
InChIKeySYGCVDYYFZXZMK-UHFFFAOYSA-N
XLogP6.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.95
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-(2,1,3-benzothiadiazol-4-yl)-1-(1-tritylimidazol-4-yl)ethanol
CID 59749562
1-chloro-2-[iodo(diphenyl)methyl]benzene
CID 143164382
[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoate
CID 51341091
[diphenyl-(1-tritylimidazol-4-yl)methyl]phosphonic acid
CID 22315060
3-[1-[(2-chlorophenyl)-diphenylmethyl]imidazol-4-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 75627314
dioxido-oxo-[3-(1-tritylimidazol-4-yl)pentan-3-yl]-λ5-phosphane
CID 22315064
4-(chloromethyl)-1-tritylimidazole
CID 2763176
2-chloro-6-(1-tritylimidazol-4-yl)benzaldehyde
CID 118917134
1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpiperazine
CID 164901756
4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine
CID 14046690
4-iodo-1-tritylimidazole;palladium
CID 174711966
4-ethyl-1-[(4-methylphenyl)-diphenylmethyl]imidazole
CID 156574711

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole?
The IUPAC name of 4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole (CID 164901726) is 4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole.
What is the SMILES notation for 4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole?
The canonical SMILES for 4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole is CC(C)(C)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)cn1.
What is the InChIKey of 4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole?
The InChIKey is SYGCVDYYFZXZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2/c1-25(2,3)24-18-29(19-28-24)26(20-12-6-4-7-13-20,21-14-8-5-9-15-21)22-16-10-11-17-23(22)27/h4-19H,1-3H3.
What are the key properties of 4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole?
4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole has a molecular weight of 400.95 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole is sourced from PubChem (CID 164901726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).