5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

C18H19N3 — CID 104557786

IUPAC5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)nc(-c1cccc3c1CCNC3)n2C
InChIInChI=1S/C18H19N3/c1-12-6-7-17-16(10-12)20-18(21(17)2)15-5-3-4-13-11-19-9-8-14(13)15/h3-7,10,19H,8-9,11H2,1-2H3
InChIKeyVVMZGETWTMTBGV-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.19
Rot. Bonds1

About 5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 104557786) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID104557786
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)nc(-c1cccc3c1CCNC3)n2C
InChIInChI=1S/C18H19N3/c1-12-6-7-17-16(10-12)20-18(21(17)2)15-5-3-4-13-11-19-9-8-14(13)15/h3-7,10,19H,8-9,11H2,1-2H3
InChIKeyVVMZGETWTMTBGV-UHFFFAOYSA-N
XLogP3.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline (CID 104557786) is 5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline is Cc1ccc2c(c1)nc(-c1cccc3c1CCNC3)n2C.
What is the InChIKey of 5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VVMZGETWTMTBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-12-6-7-17-16(10-12)20-18(21(17)2)15-5-3-4-13-11-19-9-8-14(13)15/h3-7,10,19H,8-9,11H2,1-2H3.
What are the key properties of 5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 277.37 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 104557786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).