1H-imidazole;1,2,3,4-tetrahydroquinoline

C12H15N3 — CID 174658972

IUPAC1H-imidazole;1,2,3,4-tetrahydroquinoline
SMILESc1c[nH]cn1.c1ccc2c(c1)CCCN2
InChIInChI=1S/C9H11N.C3H4N2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-3-4-1/h1-2,4,6,10H,3,5,7H2;1-3H,(H,4,5)
InChIKeyAGNZFXRDRZMFCX-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.45
Rot. Bonds

About 1H-imidazole;1,2,3,4-tetrahydroquinoline

1H-imidazole;1,2,3,4-tetrahydroquinoline (PubChem CID 174658972) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1H-imidazole;1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name1H-imidazole;1,2,3,4-tetrahydroquinoline
PubChem CID174658972
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1H-imidazole;1,2,3,4-tetrahydroquinoline
SMILESc1c[nH]cn1.c1ccc2c(c1)CCCN2
InChIInChI=1S/C9H11N.C3H4N2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-3-4-1/h1-2,4,6,10H,3,5,7H2;1-3H,(H,4,5)
InChIKeyAGNZFXRDRZMFCX-UHFFFAOYSA-N
XLogP2.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,2,3,4-tetrahydroquinoline?
The IUPAC name of 1H-imidazole;1,2,3,4-tetrahydroquinoline (CID 174658972) is 1H-imidazole;1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 1H-imidazole;1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 1H-imidazole;1,2,3,4-tetrahydroquinoline is c1c[nH]cn1.c1ccc2c(c1)CCCN2.
What is the InChIKey of 1H-imidazole;1,2,3,4-tetrahydroquinoline?
The InChIKey is AGNZFXRDRZMFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C3H4N2/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-3-4-1/h1-2,4,6,10H,3,5,7H2;1-3H,(H,4,5).
What are the key properties of 1H-imidazole;1,2,3,4-tetrahydroquinoline?
1H-imidazole;1,2,3,4-tetrahydroquinoline has a molecular weight of 201.27 g/mol, XLogP of 2.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 174658972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).