(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone

C17H22N4O2S — CID 72940609

IUPAC(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone
SMILESCn1c(N2CCOCC2)nc2cc(C(=O)N3CCSCC3)ccc21
InChIInChI=1S/C17H22N4O2S/c1-19-15-3-2-13(16(22)20-6-10-24-11-7-20)12-14(15)18-17(19)21-4-8-23-9-5-21/h2-3,12H,4-11H2,1H3
InChIKeyJVJKXPMRNYYSDX-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.60
Rot. Bonds2

About (1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone

(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone (PubChem CID 72940609) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone
PubChem CID72940609
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone
SMILESCn1c(N2CCOCC2)nc2cc(C(=O)N3CCSCC3)ccc21
InChIInChI=1S/C17H22N4O2S/c1-19-15-3-2-13(16(22)20-6-10-24-11-7-20)12-14(15)18-17(19)21-4-8-23-9-5-21/h2-3,12H,4-11H2,1H3
InChIKeyJVJKXPMRNYYSDX-UHFFFAOYSA-N
XLogP1.60
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid
CID 97275213
1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide
CID 97196556
(2S)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 72935230
[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)methanone
CID 72858986
[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)methanone
CID 97209841
N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72912171
1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72868991
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72873356
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 97205809
3-[[(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)amino]methyl]benzoic acid
CID 72911503
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 97205808
1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 72913541

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone (CID 72940609) is (1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone is Cn1c(N2CCOCC2)nc2cc(C(=O)N3CCSCC3)ccc21.
What is the InChIKey of (1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is JVJKXPMRNYYSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-19-15-3-2-13(16(22)20-6-10-24-11-7-20)12-14(15)18-17(19)21-4-8-23-9-5-21/h2-3,12H,4-11H2,1H3.
What are the key properties of (1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone?
(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 346.46 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 72940609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).