1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one

C20H24N4O3S — CID 167540322

IUPAC1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one
SMILESCOc1nc2ccc(N3CCOCC3)cc2n1C(=O)CCCCc1nccs1
InChIInChI=1S/C20H24N4O3S/c1-26-20-22-16-7-6-15(23-9-11-27-12-10-23)14-17(16)24(20)19(25)5-3-2-4-18-21-8-13-28-18/h6-8,13-14H,2-5,9-12H2,1H3
InChIKeyBCFRXWDOWUQXBR-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.39
Rot. Bonds7

About 1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one

1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one (PubChem CID 167540322) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one.

Molecular Properties

Compound Name1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one
PubChem CID167540322
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one
SMILESCOc1nc2ccc(N3CCOCC3)cc2n1C(=O)CCCCc1nccs1
InChIInChI=1S/C20H24N4O3S/c1-26-20-22-16-7-6-15(23-9-11-27-12-10-23)14-17(16)24(20)19(25)5-3-2-4-18-21-8-13-28-18/h6-8,13-14H,2-5,9-12H2,1H3
InChIKeyBCFRXWDOWUQXBR-UHFFFAOYSA-N
XLogP3.39
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one
CID 167571586
1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-6-phenylhexan-1-one
CID 167578699
6-(3-tert-butylpyrazol-1-yl)-1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)hexan-1-one;6-(3-tert-butylpyrazol-1-yl)-1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)hexan-1-one
CID 167534666
4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine
CID 175756694
6-(1,3-thiazol-2-yl)hexan-2-one
CID 134309859
4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid
CID 102942059
3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117417021
1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 56687363
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one
CID 53186007
methyl 6-morpholin-4-ylquinoline-4-carboxylate
CID 102941785
methyl 3-[6-(4-morpholin-4-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoate
CID 90736361
4-(2-chloro-3-ethylquinolin-6-yl)morpholine
CID 63231613

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one?
The IUPAC name of 1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one (CID 167540322) is 1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one.
What is the SMILES notation for 1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one?
The canonical SMILES for 1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one is COc1nc2ccc(N3CCOCC3)cc2n1C(=O)CCCCc1nccs1.
What is the InChIKey of 1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one?
The InChIKey is BCFRXWDOWUQXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-26-20-22-16-7-6-15(23-9-11-27-12-10-23)14-17(16)24(20)19(25)5-3-2-4-18-21-8-13-28-18/h6-8,13-14H,2-5,9-12H2,1H3.
What are the key properties of 1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one?
1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one has a molecular weight of 400.50 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one is sourced from PubChem (CID 167540322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).