3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

C17H16FN3 — CID 62376725

IUPAC3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCn1c(C2Cc3ccccc3CN2)nc2ccc(F)cc21
InChIInChI=1S/C17H16FN3/c1-21-16-9-13(18)6-7-14(16)20-17(21)15-8-11-4-2-3-5-12(11)10-19-15/h2-7,9,15,19H,8,10H2,1H3
InChIKeyDADREPMGRLWDHE-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.10
Rot. Bonds1

About 3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 62376725) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID62376725
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCn1c(C2Cc3ccccc3CN2)nc2ccc(F)cc21
InChIInChI=1S/C17H16FN3/c1-21-16-9-13(18)6-7-14(16)20-17(21)15-8-11-4-2-3-5-12(11)10-19-15/h2-7,9,15,19H,8,10H2,1H3
InChIKeyDADREPMGRLWDHE-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline (CID 62376725) is 3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline is Cn1c(C2Cc3ccccc3CN2)nc2ccc(F)cc21.
What is the InChIKey of 3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is DADREPMGRLWDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-21-16-9-13(18)6-7-14(16)20-17(21)15-8-11-4-2-3-5-12(11)10-19-15/h2-7,9,15,19H,8,10H2,1H3.
What are the key properties of 3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 281.33 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 62376725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).