5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide

C33H32N4O3 — CID 135163444

IUPAC5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide
SMILESCOc1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1C(=O)N(C)[C@H](C)c1ccccc1
InChIInChI=1S/C33H32N4O3/c1-23(25-13-7-4-8-14-25)36(2)30(38)28-21-24(19-20-29(28)40-3)22-37-31(39)33(35-32(37)34,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-21,23H,22H2,1-3H3,(H2,34,35)/t23-/m1/s1
InChIKeyKKYUYDVDEMFGDU-HSZRJFAPSA-N
MW532.64 g/mol
LogP5.13
Rot. Bonds8

About 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide

5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 135163444) has the molecular formula C33H32N4O3 and a molecular weight of 532.64 g/mol. Its IUPAC name is 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide
PubChem CID135163444
Molecular FormulaC33H32N4O3
Molecular Weight532.64 g/mol
Exact Mass532.25
IUPAC Name5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide
SMILESCOc1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1C(=O)N(C)[C@H](C)c1ccccc1
InChIInChI=1S/C33H32N4O3/c1-23(25-13-7-4-8-14-25)36(2)30(38)28-21-24(19-20-29(28)40-3)22-37-31(39)33(35-32(37)34,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-21,23H,22H2,1-3H3,(H2,34,35)/t23-/m1/s1
InChIKeyKKYUYDVDEMFGDU-HSZRJFAPSA-N
XLogP5.13
TPSA88.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 76335705
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CID 76317505
CID 76317505
CID 44208102
CID 44208102
CID 86273116
CID 86273116
CID 86273117
CID 86273117
CID 86275287
CID 86275287
CID 117599849
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CID 117599853
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CID 15987566
CID 15987566

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide (CID 135163444) is 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide is COc1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1C(=O)N(C)[C@H](C)c1ccccc1.
What is the InChIKey of 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is KKYUYDVDEMFGDU-HSZRJFAPSA-N. The full InChI is InChI=1S/C33H32N4O3/c1-23(25-13-7-4-8-14-25)36(2)30(38)28-21-24(19-20-29(28)40-3)22-37-31(39)33(35-32(37)34,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-21,23H,22H2,1-3H3,(H2,34,35)/t23-/m1/s1.
What are the key properties of 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide?
5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 532.64 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 135163444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).