N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide

C15H20N4O2S — CID 119069776

IUPACN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide
SMILESCOc1ccc2nc(CCNC(=O)N3CCSCC3)[nH]c2c1
InChIInChI=1S/C15H20N4O2S/c1-21-11-2-3-12-13(10-11)18-14(17-12)4-5-16-15(20)19-6-8-22-9-7-19/h2-3,10H,4-9H2,1H3,(H,16,20)(H,17,18)
InChIKeyKQVSUTSHJZWGIA-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.87
Rot. Bonds4

About N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide

N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide (PubChem CID 119069776) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide
PubChem CID119069776
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide
SMILESCOc1ccc2nc(CCNC(=O)N3CCSCC3)[nH]c2c1
InChIInChI=1S/C15H20N4O2S/c1-21-11-2-3-12-13(10-11)18-14(17-12)4-5-16-15(20)19-6-8-22-9-7-19/h2-3,10H,4-9H2,1H3,(H,16,20)(H,17,18)
InChIKeyKQVSUTSHJZWGIA-UHFFFAOYSA-N
XLogP1.87
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
CID 125179788
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]acetamide
CID 77089120
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 65017857
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 46975099
2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 84560321
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336889
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
CID 42528796
formic acid;N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 154909557
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46937550
(4-methoxyphenyl)-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 171914202
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide (CID 119069776) is N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide is COc1ccc2nc(CCNC(=O)N3CCSCC3)[nH]c2c1.
What is the InChIKey of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide?
The InChIKey is KQVSUTSHJZWGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-21-11-2-3-12-13(10-11)18-14(17-12)4-5-16-15(20)19-6-8-22-9-7-19/h2-3,10H,4-9H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide?
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 119069776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).