7-(1H-imidazol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinoline

C14H17N3 — CID 58975260

IUPAC7-(1H-imidazol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinoline
SMILESCc1ccc2c(n1)CC(Cc1cnc[nH]1)CC2
InChIInChI=1S/C14H17N3/c1-10-2-4-12-5-3-11(7-14(12)17-10)6-13-8-15-9-16-13/h2,4,8-9,11H,3,5-7H2,1H3,(H,15,16)
InChIKeyQARGORYGMLXATH-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.46
Rot. Bonds2

About 7-(1H-imidazol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinoline

7-(1H-imidazol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinoline (PubChem CID 58975260) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 7-(1H-imidazol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name7-(1H-imidazol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinoline
PubChem CID58975260
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name7-(1H-imidazol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinoline
SMILESCc1ccc2c(n1)CC(Cc1cnc[nH]1)CC2
InChIInChI=1S/C14H17N3/c1-10-2-4-12-5-3-11(7-14(12)17-10)6-13-8-15-9-16-13/h2,4,8-9,11H,3,5-7H2,1H3,(H,15,16)
InChIKeyQARGORYGMLXATH-UHFFFAOYSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole
CID 20711765
5-[(6-methyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl)methyl]-1H-imidazole
CID 143711060
5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole
CID 118055412
4-(1H-imidazol-5-ylmethyl)piperidine
CID 3035842
5-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-1H-imidazole
CID 59976346
(3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
CID 169426845
1-ethyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11164099
5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole;N-methyl-N-methylsulfanylperoxymethanamine
CID 91297795
5-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-ylmethyl)-1H-imidazole;hydrochloride
CID 162333788
4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide
CID 11210868
5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine
CID 59435380
5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole
CID 129362256

Frequently Asked Questions

What is the IUPAC name of 7-(1H-imidazol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 7-(1H-imidazol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinoline (CID 58975260) is 7-(1H-imidazol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 7-(1H-imidazol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 7-(1H-imidazol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinoline is Cc1ccc2c(n1)CC(Cc1cnc[nH]1)CC2.
What is the InChIKey of 7-(1H-imidazol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is QARGORYGMLXATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-2-4-12-5-3-11(7-14(12)17-10)6-13-8-15-9-16-13/h2,4,8-9,11H,3,5-7H2,1H3,(H,15,16).
What are the key properties of 7-(1H-imidazol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinoline?
7-(1H-imidazol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 227.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-imidazol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 58975260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).