1-(5-bromothiophen-2-yl)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanone

C19H19BrN2OS2 — CID 5298315

IUPAC1-(5-bromothiophen-2-yl)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanone
SMILESO=C(CSc1nc2ccccc2n1C1CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C19H19BrN2OS2/c20-18-11-10-17(25-18)16(23)12-24-19-21-14-8-4-5-9-15(14)22(19)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2
InChIKeyPRWXUAHHPZOLLJ-UHFFFAOYSA-N
MW435.41 g/mol
LogP6.34
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanone

1-(5-bromothiophen-2-yl)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanone (PubChem CID 5298315) has the molecular formula C19H19BrN2OS2 and a molecular weight of 435.41 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanone
PubChem CID5298315
Molecular FormulaC19H19BrN2OS2
Molecular Weight435.41 g/mol
Exact Mass434.01
IUPAC Name1-(5-bromothiophen-2-yl)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanone
SMILESO=C(CSc1nc2ccccc2n1C1CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C19H19BrN2OS2/c20-18-11-10-17(25-18)16(23)12-24-19-21-14-8-4-5-9-15(14)22(19)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2
InChIKeyPRWXUAHHPZOLLJ-UHFFFAOYSA-N
XLogP6.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.41
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 29066136
2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid
CID 62415191
2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 40972087
2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide
CID 41480326
4-(1-cyclohexylbenzimidazol-2-yl)sulfanylbutanenitrile
CID 39951673
2-(1-cyclopent-3-en-1-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 113475637
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1-cyclopentylquinazolin-4-one
CID 23996409
3-benzyl-2-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 4273860
3-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
CID 46786455
2-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanyl-3-[(1S)-1-phenylethyl]quinazolin-4-one
CID 2415419
2-(1-cyclohexyl-5-iodobenzimidazol-2-yl)sulfanylacetic acid
CID 66080161
1-(5-bromothiophen-2-yl)-2-[[4-phenyl-5-[(1R)-1-piperidin-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 25394067

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanone (CID 5298315) is 1-(5-bromothiophen-2-yl)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanone is O=C(CSc1nc2ccccc2n1C1CCCCC1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanone?
The InChIKey is PRWXUAHHPZOLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2OS2/c20-18-11-10-17(25-18)16(23)12-24-19-21-14-8-4-5-9-15(14)22(19)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanone?
1-(5-bromothiophen-2-yl)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanone has a molecular weight of 435.41 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanone is sourced from PubChem (CID 5298315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).