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

C12H15N3 — CID 70357060

IUPAC1H-imidazole;1,2,3,4-tetrahydroisoquinoline
SMILESc1c[nH]cn1.c1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11N.C3H4N2/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-3-4-1/h1-4,10H,5-7H2;1-3H,(H,4,5)
InChIKeyDDQWVTSSGWHOGC-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.74
Rot. Bonds

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

1H-imidazole;1,2,3,4-tetrahydroisoquinoline (PubChem CID 70357060) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1H-imidazole;1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1H-imidazole;1,2,3,4-tetrahydroisoquinoline
PubChem CID70357060
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1H-imidazole;1,2,3,4-tetrahydroisoquinoline
SMILESc1c[nH]cn1.c1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11N.C3H4N2/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-3-4-1/h1-4,10H,5-7H2;1-3H,(H,4,5)
InChIKeyDDQWVTSSGWHOGC-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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-tetrahydroisoquinoline?
The IUPAC name of 1H-imidazole;1,2,3,4-tetrahydroisoquinoline (CID 70357060) is 1H-imidazole;1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1H-imidazole;1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1H-imidazole;1,2,3,4-tetrahydroisoquinoline is c1c[nH]cn1.c1ccc2c(c1)CCNC2.
What is the InChIKey of 1H-imidazole;1,2,3,4-tetrahydroisoquinoline?
The InChIKey is DDQWVTSSGWHOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C3H4N2/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-3-4-1/h1-4,10H,5-7H2;1-3H,(H,4,5).
What are the key properties of 1H-imidazole;1,2,3,4-tetrahydroisoquinoline?
1H-imidazole;1,2,3,4-tetrahydroisoquinoline has a molecular weight of 201.27 g/mol, XLogP of 1.74, 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-tetrahydroisoquinoline is sourced from PubChem (CID 70357060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).