N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(1H-indol-7-ylmethyl)oxamide

C18H21N5O2 — CID 166314384

IUPACN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(1H-indol-7-ylmethyl)oxamide
SMILESCc1ncn(CCNC(=O)C(=O)NCc2cccc3cc[nH]c23)c1C
InChIInChI=1S/C18H21N5O2/c1-12-13(2)23(11-22-12)9-8-20-17(24)18(25)21-10-15-5-3-4-14-6-7-19-16(14)15/h3-7,11,19H,8-10H2,1-2H3,(H,20,24)(H,21,25)
InChIKeySIEWEMHFEMSYJJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.41
Rot. Bonds5

About N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(1H-indol-7-ylmethyl)oxamide

N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(1H-indol-7-ylmethyl)oxamide (PubChem CID 166314384) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(1H-indol-7-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(1H-indol-7-ylmethyl)oxamide
PubChem CID166314384
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(1H-indol-7-ylmethyl)oxamide
SMILESCc1ncn(CCNC(=O)C(=O)NCc2cccc3cc[nH]c23)c1C
InChIInChI=1S/C18H21N5O2/c1-12-13(2)23(11-22-12)9-8-20-17(24)18(25)21-10-15-5-3-4-14-6-7-19-16(14)15/h3-7,11,19H,8-10H2,1-2H3,(H,20,24)(H,21,25)
InChIKeySIEWEMHFEMSYJJ-UHFFFAOYSA-N
XLogP1.41
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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melanotan-II
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Examorelin
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AC-Nle-cyclo-(glu-his-D-phe-arg-dap)-trp-NH2
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Growth hormone releasing hexapeptide
CID 9919153
His-Trp
CID 7009650
Ac-His-DPhe-Arg-Trp-NH2
CID 11093672
3-Imidazol-1-ylmethyl-1H-indole
CID 792486

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(1H-indol-7-ylmethyl)oxamide?
The IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(1H-indol-7-ylmethyl)oxamide (CID 166314384) is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(1H-indol-7-ylmethyl)oxamide.
What is the SMILES notation for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(1H-indol-7-ylmethyl)oxamide?
The canonical SMILES for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(1H-indol-7-ylmethyl)oxamide is Cc1ncn(CCNC(=O)C(=O)NCc2cccc3cc[nH]c23)c1C.
What is the InChIKey of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(1H-indol-7-ylmethyl)oxamide?
The InChIKey is SIEWEMHFEMSYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-13(2)23(11-22-12)9-8-20-17(24)18(25)21-10-15-5-3-4-14-6-7-19-16(14)15/h3-7,11,19H,8-10H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(1H-indol-7-ylmethyl)oxamide?
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(1H-indol-7-ylmethyl)oxamide has a molecular weight of 339.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(1H-indol-7-ylmethyl)oxamide is sourced from PubChem (CID 166314384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).