(5S)-N-octadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide

C28H47N3O — CID 44586601

IUPAC(5S)-N-octadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CN=C(c2ccccc2)N1
InChIInChI=1S/C28H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-28(32)26-24-30-27(31-26)25-21-18-17-19-22-25/h17-19,21-22,26H,2-16,20,23-24H2,1H3,(H,29,32)(H,30,31)/t26-/m0/s1
InChIKeyYFUKCQLAMOUKCE-SANMLTNESA-N
MW441.70 g/mol
LogP6.78
Rot. Bonds19

About (5S)-N-octadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide

(5S)-N-octadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide (PubChem CID 44586601) has the molecular formula C28H47N3O and a molecular weight of 441.70 g/mol. Its IUPAC name is (5S)-N-octadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-octadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide
PubChem CID44586601
Molecular FormulaC28H47N3O
Molecular Weight441.70 g/mol
Exact Mass441.37
IUPAC Name(5S)-N-octadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CN=C(c2ccccc2)N1
InChIInChI=1S/C28H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-28(32)26-24-30-27(31-26)25-21-18-17-19-22-25/h17-19,21-22,26H,2-16,20,23-24H2,1H3,(H,29,32)(H,30,31)/t26-/m0/s1
InChIKeyYFUKCQLAMOUKCE-SANMLTNESA-N
XLogP6.78
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.70
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

H-Arg-Arg-Arg-Val-Arg-NHBn(4-amidino)
CID 132281929
(S)-2-acetamido-N-((S)-1-((S)-1-(4-carbamimidoylbenzylamino)-5-guanidino-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-5-guanidinopentanamide
CID 45486357
(2S)-2-[[(2S)-2-[[(2S)-2,5-bis(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 168284077
H-D-Arg-Arg-Arg-Val-Arg-NHBn(4-amidino)
CID 168293551
H-Arg-Arg-Val-Arg-NHBn(4-amidino)
CID 168297222
4,7-Dimethyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid benzyl-cyclopentylcarbamoylmethyl-amide
CID 3224870
deamino-Arg-Val-Arg-NHBn(4-amidino)
CID 168269103
deamino-Arg-Gly(tBu)-Arg-NHBn(4-amidino)
CID 168281951
Ac-Ala-Arg-Ala-NHBn
CID 58566242
2-phenyl-4,5-dihydro-1H-imidazol-5-one
CID 2749590
4,9-Dimethyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid benzyl-cyclopentylcarbamoylmethyl-amide
CID 3224885
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-4-methyl-N-(1,4,4-trimethyl-6-oxo-2-phenyl-5H-pyrimidin-5-yl)pentanamide
CID 44344993

Frequently Asked Questions

What is the IUPAC name of (5S)-N-octadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide?
The IUPAC name of (5S)-N-octadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide (CID 44586601) is (5S)-N-octadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide.
What is the SMILES notation for (5S)-N-octadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide?
The canonical SMILES for (5S)-N-octadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide is CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CN=C(c2ccccc2)N1.
What is the InChIKey of (5S)-N-octadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide?
The InChIKey is YFUKCQLAMOUKCE-SANMLTNESA-N. The full InChI is InChI=1S/C28H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-28(32)26-24-30-27(31-26)25-21-18-17-19-22-25/h17-19,21-22,26H,2-16,20,23-24H2,1H3,(H,29,32)(H,30,31)/t26-/m0/s1.
What are the key properties of (5S)-N-octadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide?
(5S)-N-octadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide has a molecular weight of 441.70 g/mol, XLogP of 6.78, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-octadecyl-2-phenyl-4,5-dihydro-1H-imidazole-5-carboxamide is sourced from PubChem (CID 44586601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).