3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylisoquinoline

C19H19N3 — CID 140917878

IUPAC3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylisoquinoline
SMILESCc1c(N2c3ccccc3N(C)[C@@H]2C)ncc2ccccc12
InChIInChI=1S/C19H19N3/c1-13-16-9-5-4-8-15(16)12-20-19(13)22-14(2)21(3)17-10-6-7-11-18(17)22/h4-12,14H,1-3H3/t14-/m0/s1
InChIKeyVMOBLWRTULFYSD-AWEZNQCLSA-N
MW289.38 g/mol
LogP4.48
Rot. Bonds1

About 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylisoquinoline

3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylisoquinoline (PubChem CID 140917878) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylisoquinoline.

Molecular Properties

Compound Name3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylisoquinoline
PubChem CID140917878
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylisoquinoline
SMILESCc1c(N2c3ccccc3N(C)[C@@H]2C)ncc2ccccc12
InChIInChI=1S/C19H19N3/c1-13-16-9-5-4-8-15(16)12-20-19(13)22-14(2)21(3)17-10-6-7-11-18(17)22/h4-12,14H,1-3H3/t14-/m0/s1
InChIKeyVMOBLWRTULFYSD-AWEZNQCLSA-N
XLogP4.48
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline
CID 140917852
(2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole
CID 118314581
ethane;4-methylisoquinolin-3-amine
CID 145004950
(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
CID 118083763
(2S)-1-[6-[(2R)-2,3-dimethyl-2H-benzimidazol-1-yl]-1-methylpyridin-1-ium-2-yl]-2,3-dimethyl-2H-benzimidazole
CID 123501271
3-[3-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]quinolin-3-yl]-2-methylphenyl]-1,2-dimethyl-[1,2,5]iodadiazolo[3,4-b]quinoline
CID 165024677
6-[(2R)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-d]pyrimidine
CID 118409975
1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole
CID 166657827
(2R)-1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole
CID 58240298
(4-methylisoquinolin-3-yl) formate
CID 165072470
7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline
CID 140940572
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2R)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;ethane
CID 158803823

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylisoquinoline?
The IUPAC name of 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylisoquinoline (CID 140917878) is 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylisoquinoline.
What is the SMILES notation for 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylisoquinoline?
The canonical SMILES for 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylisoquinoline is Cc1c(N2c3ccccc3N(C)[C@@H]2C)ncc2ccccc12.
What is the InChIKey of 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylisoquinoline?
The InChIKey is VMOBLWRTULFYSD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3/c1-13-16-9-5-4-8-15(16)12-20-19(13)22-14(2)21(3)17-10-6-7-11-18(17)22/h4-12,14H,1-3H3/t14-/m0/s1.
What are the key properties of 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylisoquinoline?
3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylisoquinoline has a molecular weight of 289.38 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylisoquinoline is sourced from PubChem (CID 140917878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).