2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol

C16H15N3O — CID 81429590

IUPAC2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(-c3ccc4c(c3)CCCN4)[nH]c2c1
InChIInChI=1S/C16H15N3O/c20-12-4-6-14-15(9-12)19-16(18-14)11-3-5-13-10(8-11)2-1-7-17-13/h3-6,8-9,17,20H,1-2,7H2,(H,18,19)
InChIKeyMDMHATSWEZRFRV-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.29
Rot. Bonds1

About 2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol

2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol (PubChem CID 81429590) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol
PubChem CID81429590
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(-c3ccc4c(c3)CCCN4)[nH]c2c1
InChIInChI=1S/C16H15N3O/c20-12-4-6-14-15(9-12)19-16(18-14)11-3-5-13-10(8-11)2-1-7-17-13/h3-6,8-9,17,20H,1-2,7H2,(H,18,19)
InChIKeyMDMHATSWEZRFRV-UHFFFAOYSA-N
XLogP3.29
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 82005414
2-(2,3-dihydro-1H-indol-5-yl)-6-fluoro-1H-benzimidazole
CID 60785781
6-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 81448401
6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 115911844
methylphosphane;1,2,3,4-tetrahydroquinolin-6-ol
CID 143733267
4-(6-hydroxy-1H-benzimidazol-2-yl)benzonitrile
CID 81431797
2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
CID 81432333
2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol
CID 81432663
6-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline
CID 63722465
2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3H-benzimidazol-5-ol
CID 81432411
4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride
CID 135987130
4-[6-(6-imidazolidin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol
CID 1782

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol (CID 81429590) is 2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol is Oc1ccc2nc(-c3ccc4c(c3)CCCN4)[nH]c2c1.
What is the InChIKey of 2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol?
The InChIKey is MDMHATSWEZRFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-12-4-6-14-15(9-12)19-16(18-14)11-3-5-13-10(8-11)2-1-7-17-13/h3-6,8-9,17,20H,1-2,7H2,(H,18,19).
What are the key properties of 2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol?
2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol has a molecular weight of 265.32 g/mol, XLogP of 3.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 81429590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).