3H-benzimidazol-5-yl-(2-ethylthiomorpholin-4-yl)methanone

C14H17N3OS — CID 115665119

IUPAC3H-benzimidazol-5-yl-(2-ethylthiomorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2ccc3nc[nH]c3c2)CCS1
InChIInChI=1S/C14H17N3OS/c1-2-11-8-17(5-6-19-11)14(18)10-3-4-12-13(7-10)16-9-15-12/h3-4,7,9,11H,2,5-6,8H2,1H3,(H,15,16)
InChIKeyOPZNAQXYWDSVKO-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.53
Rot. Bonds2

About 3H-benzimidazol-5-yl-(2-ethylthiomorpholin-4-yl)methanone

3H-benzimidazol-5-yl-(2-ethylthiomorpholin-4-yl)methanone (PubChem CID 115665119) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-(2-ethylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-(2-ethylthiomorpholin-4-yl)methanone
PubChem CID115665119
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3H-benzimidazol-5-yl-(2-ethylthiomorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2ccc3nc[nH]c3c2)CCS1
InChIInChI=1S/C14H17N3OS/c1-2-11-8-17(5-6-19-11)14(18)10-3-4-12-13(7-10)16-9-15-12/h3-4,7,9,11H,2,5-6,8H2,1H3,(H,15,16)
InChIKeyOPZNAQXYWDSVKO-UHFFFAOYSA-N
XLogP2.53
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3H-benzimidazol-5-yl-(2-methylthiomorpholin-4-yl)methanone
CID 115612080
(3-aminophenyl)-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride
CID 119791768
3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605111
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 61296468
3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110745920
3H-benzimidazol-5-yl-[7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone
CID 90632074
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
1-(3H-benzimidazole-5-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one
CID 56874277
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748
3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-(2-ethylthiomorpholin-4-yl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl-(2-ethylthiomorpholin-4-yl)methanone (CID 115665119) is 3H-benzimidazol-5-yl-(2-ethylthiomorpholin-4-yl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-(2-ethylthiomorpholin-4-yl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-(2-ethylthiomorpholin-4-yl)methanone is CCC1CN(C(=O)c2ccc3nc[nH]c3c2)CCS1.
What is the InChIKey of 3H-benzimidazol-5-yl-(2-ethylthiomorpholin-4-yl)methanone?
The InChIKey is OPZNAQXYWDSVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-11-8-17(5-6-19-11)14(18)10-3-4-12-13(7-10)16-9-15-12/h3-4,7,9,11H,2,5-6,8H2,1H3,(H,15,16).
What are the key properties of 3H-benzimidazol-5-yl-(2-ethylthiomorpholin-4-yl)methanone?
3H-benzimidazol-5-yl-(2-ethylthiomorpholin-4-yl)methanone has a molecular weight of 275.38 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-(2-ethylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 115665119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).