N-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylmethylamino)-3-phenylpropanamide

C36H39N5O2 — CID 22959513

IUPACN-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylmethylamino)-3-phenylpropanamide
SMILESO=C(CC(NCc1ccc2ccccc2c1)c1ccccc1)NC(Cc1ccc(C2=NCCN2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C36H39N5O2/c42-34(24-32(29-9-2-1-3-10-29)39-25-27-14-15-28-8-4-5-11-31(28)22-27)40-33(36(43)41-20-6-7-21-41)23-26-12-16-30(17-13-26)35-37-18-19-38-35/h1-5,8-17,22,32-33,39H,6-7,18-21,23-25H2,(H,37,38)(H,40,42)
InChIKeyDUSBCZBEUNTKPY-UHFFFAOYSA-N
MW573.74 g/mol
LogP4.76
Rot. Bonds11

About N-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylmethylamino)-3-phenylpropanamide

N-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylmethylamino)-3-phenylpropanamide (PubChem CID 22959513) has the molecular formula C36H39N5O2 and a molecular weight of 573.74 g/mol. Its IUPAC name is N-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylmethylamino)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylmethylamino)-3-phenylpropanamide
PubChem CID22959513
Molecular FormulaC36H39N5O2
Molecular Weight573.74 g/mol
Exact Mass573.31
IUPAC NameN-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylmethylamino)-3-phenylpropanamide
SMILESO=C(CC(NCc1ccc2ccccc2c1)c1ccccc1)NC(Cc1ccc(C2=NCCN2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C36H39N5O2/c42-34(24-32(29-9-2-1-3-10-29)39-25-27-14-15-28-8-4-5-11-31(28)22-27)40-33(36(43)41-20-6-7-21-41)23-26-12-16-30(17-13-26)35-37-18-19-38-35/h1-5,8-17,22,32-33,39H,6-7,18-21,23-25H2,(H,37,38)(H,40,42)
InChIKeyDUSBCZBEUNTKPY-UHFFFAOYSA-N
XLogP4.76
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.74
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylmethylamino)-3-phenylpropanamide?
The IUPAC name of N-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylmethylamino)-3-phenylpropanamide (CID 22959513) is N-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylmethylamino)-3-phenylpropanamide.
What is the SMILES notation for N-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylmethylamino)-3-phenylpropanamide?
The canonical SMILES for N-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylmethylamino)-3-phenylpropanamide is O=C(CC(NCc1ccc2ccccc2c1)c1ccccc1)NC(Cc1ccc(C2=NCCN2)cc1)C(=O)N1CCCC1.
What is the InChIKey of N-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylmethylamino)-3-phenylpropanamide?
The InChIKey is DUSBCZBEUNTKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N5O2/c42-34(24-32(29-9-2-1-3-10-29)39-25-27-14-15-28-8-4-5-11-31(28)22-27)40-33(36(43)41-20-6-7-21-41)23-26-12-16-30(17-13-26)35-37-18-19-38-35/h1-5,8-17,22,32-33,39H,6-7,18-21,23-25H2,(H,37,38)(H,40,42).
What are the key properties of N-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylmethylamino)-3-phenylpropanamide?
N-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylmethylamino)-3-phenylpropanamide has a molecular weight of 573.74 g/mol, XLogP of 4.76, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylmethylamino)-3-phenylpropanamide is sourced from PubChem (CID 22959513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).