4-(5-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

C17H16ClN3 — CID 65262951

IUPAC4-(5-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCn1c(C2CNCc3ccccc32)nc2cc(Cl)ccc21
InChIInChI=1S/C17H16ClN3/c1-21-16-7-6-12(18)8-15(16)20-17(21)14-10-19-9-11-4-2-3-5-13(11)14/h2-8,14,19H,9-10H2,1H3
InChIKeyGBUWVGBCHGQSIO-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.46
Rot. Bonds1

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

4-(5-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 65262951) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(5-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID65262951
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name4-(5-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCn1c(C2CNCc3ccccc32)nc2cc(Cl)ccc21
InChIInChI=1S/C17H16ClN3/c1-21-16-7-6-12(18)8-15(16)20-17(21)14-10-19-9-11-4-2-3-5-13(11)14/h2-8,14,19H,9-10H2,1H3
InChIKeyGBUWVGBCHGQSIO-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(2,3-dihydro-1H-indol-3-yl)-1-methylbenzimidazole
CID 115472337
5-(5-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104557789
5-chloro-2-(2,3-dihydro-1H-indol-3-ylmethyl)-1-methylbenzimidazole
CID 80572125
4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroisoquinoline
CID 65263211
4-(1,4-dimethylpyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline
CID 112742399
4-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81448504
5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole
CID 55251116
4-(5-methoxy-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 177221822
4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81057890
(4R)-4-(1H-indol-6-yl)-1,2,3,4-tetrahydroisoquinoline
CID 129394389
4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 65347798
4-(3H-imidazo[4,5-c]pyridin-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 65263152

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline (CID 65262951) is 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline is Cn1c(C2CNCc3ccccc32)nc2cc(Cl)ccc21.
What is the InChIKey of 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GBUWVGBCHGQSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-21-16-7-6-12(18)8-15(16)20-17(21)14-10-19-9-11-4-2-3-5-13(11)14/h2-8,14,19H,9-10H2,1H3.
What are the key properties of 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
4-(5-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 297.79 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 65262951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).