4-(2-tert-butylimidazol-1-yl)-2,2-diphenylbutanamide

C23H27N3O — CID 15491327

IUPAC4-(2-tert-butylimidazol-1-yl)-2,2-diphenylbutanamide
SMILESCC(C)(C)c1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27N3O/c1-22(2,3)21-25-15-17-26(21)16-14-23(20(24)27,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,15,17H,14,16H2,1-3H3,(H2,24,27)
InChIKeyKJZAMEYVYDSKPN-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.04
Rot. Bonds6

About 4-(2-tert-butylimidazol-1-yl)-2,2-diphenylbutanamide

4-(2-tert-butylimidazol-1-yl)-2,2-diphenylbutanamide (PubChem CID 15491327) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(2-tert-butylimidazol-1-yl)-2,2-diphenylbutanamide.

Molecular Properties

Compound Name4-(2-tert-butylimidazol-1-yl)-2,2-diphenylbutanamide
PubChem CID15491327
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name4-(2-tert-butylimidazol-1-yl)-2,2-diphenylbutanamide
SMILESCC(C)(C)c1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27N3O/c1-22(2,3)21-25-15-17-26(21)16-14-23(20(24)27,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,15,17H,14,16H2,1-3H3,(H2,24,27)
InChIKeyKJZAMEYVYDSKPN-UHFFFAOYSA-N
XLogP4.04
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylimidazol-1-yl)-2,2-diphenylbutanamide?
The IUPAC name of 4-(2-tert-butylimidazol-1-yl)-2,2-diphenylbutanamide (CID 15491327) is 4-(2-tert-butylimidazol-1-yl)-2,2-diphenylbutanamide.
What is the SMILES notation for 4-(2-tert-butylimidazol-1-yl)-2,2-diphenylbutanamide?
The canonical SMILES for 4-(2-tert-butylimidazol-1-yl)-2,2-diphenylbutanamide is CC(C)(C)c1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(2-tert-butylimidazol-1-yl)-2,2-diphenylbutanamide?
The InChIKey is KJZAMEYVYDSKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-22(2,3)21-25-15-17-26(21)16-14-23(20(24)27,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,15,17H,14,16H2,1-3H3,(H2,24,27).
What are the key properties of 4-(2-tert-butylimidazol-1-yl)-2,2-diphenylbutanamide?
4-(2-tert-butylimidazol-1-yl)-2,2-diphenylbutanamide has a molecular weight of 361.49 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylimidazol-1-yl)-2,2-diphenylbutanamide is sourced from PubChem (CID 15491327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).