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

C17H17N3 — CID 43325770

IUPAC3-(1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCn1c(C2Cc3ccccc3CN2)nc2ccccc21
InChIInChI=1S/C17H17N3/c1-20-16-9-5-4-8-14(16)19-17(20)15-10-12-6-2-3-7-13(12)11-18-15/h2-9,15,18H,10-11H2,1H3
InChIKeyPVJCORNGLZGTBM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.96
Rot. Bonds1

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

3-(1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 43325770) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-(1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID43325770
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name3-(1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCn1c(C2Cc3ccccc3CN2)nc2ccccc21
InChIInChI=1S/C17H17N3/c1-20-16-9-5-4-8-14(16)19-17(20)15-10-12-6-2-3-7-13(12)11-18-15/h2-9,15,18H,10-11H2,1H3
InChIKeyPVJCORNGLZGTBM-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 62376725
3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81456452
3-(2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 62695291
3-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 62695078
(3S)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104896066
2-(2,3-dihydro-1H-indol-2-yl)-1-ethylbenzimidazole
CID 43325776
(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104896049
1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole
CID 167934115
(3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline
CID 56719826
N,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine
CID 115945513
1-methyl-2-(1-piperidin-4-ylpyrrolidin-2-yl)benzimidazole
CID 61020903
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 62336192

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-(1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline (CID 43325770) is 3-(1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-(1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-(1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline is Cn1c(C2Cc3ccccc3CN2)nc2ccccc21.
What is the InChIKey of 3-(1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PVJCORNGLZGTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-20-16-9-5-4-8-14(16)19-17(20)15-10-12-6-2-3-7-13(12)11-18-15/h2-9,15,18H,10-11H2,1H3.
What are the key properties of 3-(1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
3-(1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 263.34 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 43325770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).