5-methyl-1H-imidazole;5,6,7,8-tetrahydroquinoline

C13H17N3 — CID 143523722

IUPAC5-methyl-1H-imidazole;5,6,7,8-tetrahydroquinoline
SMILESCc1cnc[nH]1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C9H11N.C4H6N2/c1-2-6-9-8(4-1)5-3-7-10-9;1-4-2-5-3-6-4/h3,5,7H,1-2,4,6H2;2-3H,1H3,(H,5,6)
InChIKeyDOGOWUWGXPWYQR-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.68
Rot. Bonds

About 5-methyl-1H-imidazole;5,6,7,8-tetrahydroquinoline

5-methyl-1H-imidazole;5,6,7,8-tetrahydroquinoline (PubChem CID 143523722) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-methyl-1H-imidazole;5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name5-methyl-1H-imidazole;5,6,7,8-tetrahydroquinoline
PubChem CID143523722
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5-methyl-1H-imidazole;5,6,7,8-tetrahydroquinoline
SMILESCc1cnc[nH]1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C9H11N.C4H6N2/c1-2-6-9-8(4-1)5-3-7-10-9;1-4-2-5-3-6-4/h3,5,7H,1-2,4,6H2;2-3H,1H3,(H,5,6)
InChIKeyDOGOWUWGXPWYQR-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene
CID 118642189
bis(but-2-enedioic acid);5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
CID 163858481
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CID 67451485
6,7-dihydro-5H-cyclopenta[b]pyridine;methane;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;thieno[3,2-d]pyrimidine
CID 159289606
1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene
CID 158350517
5-methyl-1H-imidazole;5-methyl-3H-pyrrole
CID 160657392
2-pyridin-3-yl-5,6,7,8-tetrahydroquinoline
CID 59083928
ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline
CID 143143665
6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ylmethylphosphane
CID 145086188
16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-imidazole;5,6,7,8-tetrahydroquinoline?
The IUPAC name of 5-methyl-1H-imidazole;5,6,7,8-tetrahydroquinoline (CID 143523722) is 5-methyl-1H-imidazole;5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 5-methyl-1H-imidazole;5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 5-methyl-1H-imidazole;5,6,7,8-tetrahydroquinoline is Cc1cnc[nH]1.c1cnc2c(c1)CCCC2.
What is the InChIKey of 5-methyl-1H-imidazole;5,6,7,8-tetrahydroquinoline?
The InChIKey is DOGOWUWGXPWYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C4H6N2/c1-2-6-9-8(4-1)5-3-7-10-9;1-4-2-5-3-6-4/h3,5,7H,1-2,4,6H2;2-3H,1H3,(H,5,6).
What are the key properties of 5-methyl-1H-imidazole;5,6,7,8-tetrahydroquinoline?
5-methyl-1H-imidazole;5,6,7,8-tetrahydroquinoline has a molecular weight of 215.30 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-imidazole;5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 143523722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).