(5S)-N-methoxy-N-methyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxamide

C15H21N3O5 — CID 44586505

IUPAC(5S)-N-methoxy-N-methyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxamide
SMILESCOc1cc(C2=NC[C@@H](C(=O)N(C)OC)N2)cc(OC)c1OC
InChIInChI=1S/C15H21N3O5/c1-18(23-5)15(19)10-8-16-14(17-10)9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7,10H,8H2,1-5H3,(H,16,17)/t10-/m0/s1
InChIKeyUOCWPXDNANJRPF-JTQLQIEISA-N
MW323.35 g/mol
LogP0.45
Rot. Bonds6

About (5S)-N-methoxy-N-methyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxamide

(5S)-N-methoxy-N-methyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxamide (PubChem CID 44586505) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is (5S)-N-methoxy-N-methyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-methoxy-N-methyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxamide
PubChem CID44586505
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name(5S)-N-methoxy-N-methyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxamide
SMILESCOc1cc(C2=NC[C@@H](C(=O)N(C)OC)N2)cc(OC)c1OC
InChIInChI=1S/C15H21N3O5/c1-18(23-5)15(19)10-8-16-14(17-10)9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7,10H,8H2,1-5H3,(H,16,17)/t10-/m0/s1
InChIKeyUOCWPXDNANJRPF-JTQLQIEISA-N
XLogP0.45
TPSA81.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-methoxy-N-methyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxamide?
The IUPAC name of (5S)-N-methoxy-N-methyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxamide (CID 44586505) is (5S)-N-methoxy-N-methyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxamide.
What is the SMILES notation for (5S)-N-methoxy-N-methyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxamide?
The canonical SMILES for (5S)-N-methoxy-N-methyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxamide is COc1cc(C2=NC[C@@H](C(=O)N(C)OC)N2)cc(OC)c1OC.
What is the InChIKey of (5S)-N-methoxy-N-methyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxamide?
The InChIKey is UOCWPXDNANJRPF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N3O5/c1-18(23-5)15(19)10-8-16-14(17-10)9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7,10H,8H2,1-5H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (5S)-N-methoxy-N-methyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxamide?
(5S)-N-methoxy-N-methyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-methoxy-N-methyl-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxamide is sourced from PubChem (CID 44586505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).