3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

C18H19N3 — CID 62336192

IUPAC3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cc2nc(C3Cc4ccccc4CN3)[nH]c2cc1C
InChIInChI=1S/C18H19N3/c1-11-7-15-16(8-12(11)2)21-18(20-15)17-9-13-5-3-4-6-14(13)10-19-17/h3-8,17,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyBVPUMLUQZPBBLB-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.57
Rot. Bonds1

About 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 62336192) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID62336192
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cc2nc(C3Cc4ccccc4CN3)[nH]c2cc1C
InChIInChI=1S/C18H19N3/c1-11-7-15-16(8-12(11)2)21-18(20-15)17-9-13-5-3-4-6-14(13)10-19-17/h3-8,17,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyBVPUMLUQZPBBLB-UHFFFAOYSA-N
XLogP3.57
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Glasdegib
CID 25166913
Lerisetron
CID 65997
Bendazol
CID 12132
5,6-Dimethylbenzimidazole
CID 675
Mavorixafor
CID 11256587
2-Phenylbenzimidazole
CID 12855
5-Methylbenzimidazole
CID 11979
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
Bis(5-amidino-2-benzimidazolyl)methane
CID 2387
2-(4-Fluoro-phenyl)-1H-benzoimidazole
CID 101259
Chitinase
CID 50921533
4-(1H-1,3-benzodiazol-2-yl)aniline
CID 345677

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline (CID 62336192) is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline is Cc1cc2nc(C3Cc4ccccc4CN3)[nH]c2cc1C.
What is the InChIKey of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BVPUMLUQZPBBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-11-7-15-16(8-12(11)2)21-18(20-15)17-9-13-5-3-4-6-14(13)10-19-17/h3-8,17,19H,9-10H2,1-2H3,(H,20,21).
What are the key properties of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 277.37 g/mol, XLogP of 3.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 62336192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).