trans-(1R,2R)-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide

C29H30N4O2 — CID 89005013

IUPACtrans-(1R,2R)-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C29H30N4O2/c30-28-32-29(22-14-6-2-7-15-22,23-16-8-3-9-17-23)27(35)33(28)19-11-10-18-31-26(34)25-20-24(25)21-12-4-1-5-13-21/h1-9,12-17,24-25H,10-11,18-20H2,(H2,30,32)(H,31,34)/t24-,25+/m0/s1
InChIKeyHKYGZMRFDOQLNK-LOSJGSFVSA-N
MW466.59 g/mol
LogP3.79
Rot. Bonds9

About trans-(1R,2R)-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 89005013) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is trans-(1R,2R)-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID89005013
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Nametrans-(1R,2R)-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C29H30N4O2/c30-28-32-29(22-14-6-2-7-15-22,23-16-8-3-9-17-23)27(35)33(28)19-11-10-18-31-26(34)25-20-24(25)21-12-4-1-5-13-21/h1-9,12-17,24-25H,10-11,18-20H2,(H2,30,32)(H,31,34)/t24-,25+/m0/s1
InChIKeyHKYGZMRFDOQLNK-LOSJGSFVSA-N
XLogP3.79
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-phenylcyclopropane-1-carboxamide
CID 19329964
N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide
CID 110612039
trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide
CID 69221581
cis-(1R,2S)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 51698986
trans-(1R,2R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 86286952
cis-(1S,2R)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 51698983
cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 40540857
N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 119406404
N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111471582
trans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide
CID 95568786
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 80710988
trans-(1S,2S)-N-[2-[4-(3-methyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide
CID 53469953

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide (CID 89005013) is trans-(1R,2R)-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is HKYGZMRFDOQLNK-LOSJGSFVSA-N. The full InChI is InChI=1S/C29H30N4O2/c30-28-32-29(22-14-6-2-7-15-22,23-16-8-3-9-17-23)27(35)33(28)19-11-10-18-31-26(34)25-20-24(25)21-12-4-1-5-13-21/h1-9,12-17,24-25H,10-11,18-20H2,(H2,30,32)(H,31,34)/t24-,25+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 89005013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).