2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3H-benzimidazol-5-ol

C16H16N2OS — CID 81432411

IUPAC2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(-c3cc4c(s3)CCCCC4)[nH]c2c1
InChIInChI=1S/C16H16N2OS/c19-11-6-7-12-13(9-11)18-16(17-12)15-8-10-4-2-1-3-5-14(10)20-15/h6-9,19H,1-5H2,(H,17,18)
InChIKeyUJMABENECJEQNS-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.27
Rot. Bonds1

About 2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3H-benzimidazol-5-ol

2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3H-benzimidazol-5-ol (PubChem CID 81432411) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3H-benzimidazol-5-ol
PubChem CID81432411
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(-c3cc4c(s3)CCCCC4)[nH]c2c1
InChIInChI=1S/C16H16N2OS/c19-11-6-7-12-13(9-11)18-16(17-12)15-8-10-4-2-1-3-5-14(10)20-15/h6-9,19H,1-5H2,(H,17,18)
InChIKeyUJMABENECJEQNS-UHFFFAOYSA-N
XLogP4.27
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3H-benzimidazol-5-amine
CID 28545864
5,6-dichloro-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-benzimidazole
CID 82005582
5-bromo-6-fluoro-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-benzimidazole
CID 79599466
2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821060
2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1H-benzimidazol-4-amine
CID 63694923
4-chloro-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1H-benzimidazole
CID 64723107
2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82795827
2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol
CID 81429590
2-(2-bromophenyl)-3H-benzimidazol-5-ol
CID 81431199
2-(2,5-difluorophenyl)-3H-benzimidazol-5-ol
CID 81432602
N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 18105109
2-(2,4,6-trimethylphenyl)-3H-benzimidazol-5-ol
CID 81431206

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3H-benzimidazol-5-ol (CID 81432411) is 2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3H-benzimidazol-5-ol is Oc1ccc2nc(-c3cc4c(s3)CCCCC4)[nH]c2c1.
What is the InChIKey of 2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3H-benzimidazol-5-ol?
The InChIKey is UJMABENECJEQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c19-11-6-7-12-13(9-11)18-16(17-12)15-8-10-4-2-1-3-5-14(10)20-15/h6-9,19H,1-5H2,(H,17,18).
What are the key properties of 2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3H-benzimidazol-5-ol?
2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3H-benzimidazol-5-ol has a molecular weight of 284.38 g/mol, XLogP of 4.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 81432411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).