1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one

C23H27N3O3 — CID 167571586

IUPAC1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one
SMILESCOc1nc2cc(N3CCOCC3)ccc2n1C(=O)CCCCc1ccccc1
InChIInChI=1S/C23H27N3O3/c1-28-23-24-20-17-19(25-13-15-29-16-14-25)11-12-21(20)26(23)22(27)10-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-12,17H,5-6,9-10,13-16H2,1H3
InChIKeyFZAULOAWJCITQD-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.93
Rot. Bonds7

About 1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one

1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one (PubChem CID 167571586) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one.

Molecular Properties

Compound Name1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one
PubChem CID167571586
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one
SMILESCOc1nc2cc(N3CCOCC3)ccc2n1C(=O)CCCCc1ccccc1
InChIInChI=1S/C23H27N3O3/c1-28-23-24-20-17-19(25-13-15-29-16-14-25)11-12-21(20)26(23)22(27)10-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-12,17H,5-6,9-10,13-16H2,1H3
InChIKeyFZAULOAWJCITQD-UHFFFAOYSA-N
XLogP3.93
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)-6-phenylhexan-1-one
CID 167578699
1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one
CID 167540322
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
1-[6-fluoro-2-methoxy-5-[4-(1-methylazetidin-3-yl)piperazin-1-yl]benzimidazol-1-yl]-5-phenylpentan-1-one
CID 167583471
1-(2-methoxy-5-pyridin-3-ylbenzimidazol-1-yl)-4-phenylbutan-1-one;1-(2-methoxy-6-pyridin-3-ylbenzimidazol-1-yl)-4-phenylbutan-1-one
CID 167590120
1-[5-fluoro-2-methoxy-6-[4-(1-methylazetidin-3-yl)piperazin-1-yl]benzimidazol-1-yl]-5-phenylpentan-1-one;1-[6-fluoro-2-methoxy-5-[4-(1-methylazetidin-3-yl)piperazin-1-yl]benzimidazol-1-yl]-5-phenylpentan-1-one
CID 167631148
1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one
CID 167545122
5-(4-morpholin-4-ylphenyl)pentanamide
CID 155168497
4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine
CID 175767613
5-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297855
4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine
CID 175756694
[benzyl(dimethyl)stannyl]-(4-morpholin-4-ylphenyl)methanone
CID 174435606

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one?
The IUPAC name of 1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one (CID 167571586) is 1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one.
What is the SMILES notation for 1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one?
The canonical SMILES for 1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one is COc1nc2cc(N3CCOCC3)ccc2n1C(=O)CCCCc1ccccc1.
What is the InChIKey of 1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one?
The InChIKey is FZAULOAWJCITQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-28-23-24-20-17-19(25-13-15-29-16-14-25)11-12-21(20)26(23)22(27)10-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-12,17H,5-6,9-10,13-16H2,1H3.
What are the key properties of 1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one?
1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one has a molecular weight of 393.49 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one is sourced from PubChem (CID 167571586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).