N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide

C15H18N4O — CID 114715972

IUPACN-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide
SMILESCNC(=O)Cn1cncc1-c1cccc2c1NCCC2
InChIInChI=1S/C15H18N4O/c1-16-14(20)9-19-10-17-8-13(19)12-6-2-4-11-5-3-7-18-15(11)12/h2,4,6,8,10,18H,3,5,7,9H2,1H3,(H,16,20)
InChIKeyJFJKYCAQZZNSNE-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.65
Rot. Bonds3

About N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide

N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide (PubChem CID 114715972) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide
PubChem CID114715972
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide
SMILESCNC(=O)Cn1cncc1-c1cccc2c1NCCC2
InChIInChI=1S/C15H18N4O/c1-16-14(20)9-19-10-17-8-13(19)12-6-2-4-11-5-3-7-18-15(11)12/h2,4,6,8,10,18H,3,5,7,9H2,1H3,(H,16,20)
InChIKeyJFJKYCAQZZNSNE-UHFFFAOYSA-N
XLogP1.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-methylpropanamide
CID 114719194
3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine
CID 114718280
8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722364
3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide
CID 114721852
8-[3-(2-cyclopropylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722102
5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole
CID 106422528
8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114717316
8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 114716664
7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole
CID 114717398
7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole
CID 114716253
8-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722090
methyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate
CID 114718971

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide (CID 114715972) is N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide is CNC(=O)Cn1cncc1-c1cccc2c1NCCC2.
What is the InChIKey of N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide?
The InChIKey is JFJKYCAQZZNSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-16-14(20)9-19-10-17-8-13(19)12-6-2-4-11-5-3-7-18-15(11)12/h2,4,6,8,10,18H,3,5,7,9H2,1H3,(H,16,20).
What are the key properties of N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide?
N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide has a molecular weight of 270.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 114715972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).