3-[4-amino-5-(3-phenylmethoxybenzoyl)-1H-imidazol-2-yl]-N-cyclopropyl-4-methylbenzamide

C28H26N4O3 — CID 67012886

IUPAC3-[4-amino-5-(3-phenylmethoxybenzoyl)-1H-imidazol-2-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1nc(N)c(C(=O)c2cccc(OCc3ccccc3)c2)[nH]1
InChIInChI=1S/C28H26N4O3/c1-17-10-11-20(28(34)30-21-12-13-21)15-23(17)27-31-24(26(29)32-27)25(33)19-8-5-9-22(14-19)35-16-18-6-3-2-4-7-18/h2-11,14-15,21H,12-13,16,29H2,1H3,(H,30,34)(H,31,32)
InChIKeyXQWKHYZEZZCQDO-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.67
Rot. Bonds8

About 3-[4-amino-5-(3-phenylmethoxybenzoyl)-1H-imidazol-2-yl]-N-cyclopropyl-4-methylbenzamide

3-[4-amino-5-(3-phenylmethoxybenzoyl)-1H-imidazol-2-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 67012886) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 3-[4-amino-5-(3-phenylmethoxybenzoyl)-1H-imidazol-2-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[4-amino-5-(3-phenylmethoxybenzoyl)-1H-imidazol-2-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID67012886
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name3-[4-amino-5-(3-phenylmethoxybenzoyl)-1H-imidazol-2-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1nc(N)c(C(=O)c2cccc(OCc3ccccc3)c2)[nH]1
InChIInChI=1S/C28H26N4O3/c1-17-10-11-20(28(34)30-21-12-13-21)15-23(17)27-31-24(26(29)32-27)25(33)19-8-5-9-22(14-19)35-16-18-6-3-2-4-7-18/h2-11,14-15,21H,12-13,16,29H2,1H3,(H,30,34)(H,31,32)
InChIKeyXQWKHYZEZZCQDO-UHFFFAOYSA-N
XLogP4.67
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[4-amino-5-(3-phenylmethoxybenzoyl)-1H-imidazol-2-yl]-N-cyclopropyl-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-5-(3-phenylmethoxybenzoyl)-1H-imidazol-2-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[4-amino-5-(3-phenylmethoxybenzoyl)-1H-imidazol-2-yl]-N-cyclopropyl-4-methylbenzamide (CID 67012886) is 3-[4-amino-5-(3-phenylmethoxybenzoyl)-1H-imidazol-2-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[4-amino-5-(3-phenylmethoxybenzoyl)-1H-imidazol-2-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[4-amino-5-(3-phenylmethoxybenzoyl)-1H-imidazol-2-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1nc(N)c(C(=O)c2cccc(OCc3ccccc3)c2)[nH]1.
What is the InChIKey of 3-[4-amino-5-(3-phenylmethoxybenzoyl)-1H-imidazol-2-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is XQWKHYZEZZCQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-17-10-11-20(28(34)30-21-12-13-21)15-23(17)27-31-24(26(29)32-27)25(33)19-8-5-9-22(14-19)35-16-18-6-3-2-4-7-18/h2-11,14-15,21H,12-13,16,29H2,1H3,(H,30,34)(H,31,32).
What are the key properties of 3-[4-amino-5-(3-phenylmethoxybenzoyl)-1H-imidazol-2-yl]-N-cyclopropyl-4-methylbenzamide?
3-[4-amino-5-(3-phenylmethoxybenzoyl)-1H-imidazol-2-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 466.54 g/mol, XLogP of 4.67, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-5-(3-phenylmethoxybenzoyl)-1H-imidazol-2-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 67012886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).