3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide

C30H27N5O2 — CID 59388257

IUPAC3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCCc2cccnc2)c1
InChIInChI=1S/C30H27N5O2/c31-29-34-30(25-12-3-1-4-13-25,26-14-5-2-6-15-26)28(37)35(29)21-23-9-7-11-24(19-23)27(36)33-18-16-22-10-8-17-32-20-22/h1-15,17,19-20H,16,18,21H2,(H2,31,34)(H,33,36)
InChIKeyONRYRPPBPUWWCF-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.65
Rot. Bonds8

About 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide

3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 59388257) has the molecular formula C30H27N5O2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID59388257
Molecular FormulaC30H27N5O2
Molecular Weight489.58 g/mol
Exact Mass489.22
IUPAC Name3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCCc2cccnc2)c1
InChIInChI=1S/C30H27N5O2/c31-29-34-30(25-12-3-1-4-13-25,26-14-5-2-6-15-26)28(37)35(29)21-23-9-7-11-24(19-23)27(36)33-18-16-22-10-8-17-32-20-22/h1-15,17,19-20H,16,18,21H2,(H2,31,34)(H,33,36)
InChIKeyONRYRPPBPUWWCF-UHFFFAOYSA-N
XLogP3.65
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 59387439
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-butan-2-ylbenzamide
CID 59387294
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 70134938
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
3-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 135154313
2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one
CID 145460426
2-amino-3-[[3-[amino(cyclopropylidene)methyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 89248264
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide
CID 155059056
N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide
CID 59386736
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate
CID 59388667
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide (CID 59388257) is 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCCc2cccnc2)c1.
What is the InChIKey of 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is ONRYRPPBPUWWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2/c31-29-34-30(25-12-3-1-4-13-25,26-14-5-2-6-15-26)28(37)35(29)21-23-9-7-11-24(19-23)27(36)33-18-16-22-10-8-17-32-20-22/h1-15,17,19-20H,16,18,21H2,(H2,31,34)(H,33,36).
What are the key properties of 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide?
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 489.58 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 59388257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).