1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide

C17H22N4O2S — CID 97196556

IUPAC1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide
SMILESCn1c(N2CCOCC2)nc2cc(C(=O)N[C@@H]3CCSC3)ccc21
InChIInChI=1S/C17H22N4O2S/c1-20-15-3-2-12(16(22)18-13-4-9-24-11-13)10-14(15)19-17(20)21-5-7-23-8-6-21/h2-3,10,13H,4-9,11H2,1H3,(H,18,22)/t13-/m1/s1
InChIKeyUEGLEJJFMLQCPZ-CYBMUJFWSA-N
MW346.46 g/mol
LogP1.65
Rot. Bonds3

About 1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide

1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide (PubChem CID 97196556) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide
PubChem CID97196556
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide
SMILESCn1c(N2CCOCC2)nc2cc(C(=O)N[C@@H]3CCSC3)ccc21
InChIInChI=1S/C17H22N4O2S/c1-20-15-3-2-12(16(22)18-13-4-9-24-11-13)10-14(15)19-17(20)21-5-7-23-8-6-21/h2-3,10,13H,4-9,11H2,1H3,(H,18,22)/t13-/m1/s1
InChIKeyUEGLEJJFMLQCPZ-CYBMUJFWSA-N
XLogP1.65
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72873356
(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone
CID 72940609
1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72868991
N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72912171
3-[[(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)amino]methyl]benzoic acid
CID 72911503
1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72927304
(2R)-1-(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)azetidine-2-carboxylic acid
CID 97275213
1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72852401
[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)methanone
CID 72858986
(3S)-3-[(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)amino]pyrrolidine-3-carboxylic acid
CID 97275090
1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 124749549
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-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide (CID 97196556) is 1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide is Cn1c(N2CCOCC2)nc2cc(C(=O)N[C@@H]3CCSC3)ccc21.
What is the InChIKey of 1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide?
The InChIKey is UEGLEJJFMLQCPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-20-15-3-2-12(16(22)18-13-4-9-24-11-13)10-14(15)19-17(20)21-5-7-23-8-6-21/h2-3,10,13H,4-9,11H2,1H3,(H,18,22)/t13-/m1/s1.
What are the key properties of 1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide?
1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 97196556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).