1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-6-phenylhexan-1-one

C24H29N3O3 — CID 167578699

IUPAC1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-6-phenylhexan-1-one
SMILESCOc1nc2cc(N3CCOCC3)ccc2n1C(=O)CCCCCc1ccccc1
InChIInChI=1S/C24H29N3O3/c1-29-24-25-21-18-20(26-14-16-30-17-15-26)12-13-22(21)27(24)23(28)11-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,12-13,18H,3,6-7,10-11,14-17H2,1H3
InChIKeyGWKKRKNDUYDSNZ-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.32
Rot. Bonds8

About 1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-6-phenylhexan-1-one

1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-6-phenylhexan-1-one (PubChem CID 167578699) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-6-phenylhexan-1-one.

Molecular Properties

Compound Name1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-6-phenylhexan-1-one
PubChem CID167578699
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-6-phenylhexan-1-one
SMILESCOc1nc2cc(N3CCOCC3)ccc2n1C(=O)CCCCCc1ccccc1
InChIInChI=1S/C24H29N3O3/c1-29-24-25-21-18-20(26-14-16-30-17-15-26)12-13-22(21)27(24)23(28)11-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,12-13,18H,3,6-7,10-11,14-17H2,1H3
InChIKeyGWKKRKNDUYDSNZ-UHFFFAOYSA-N
XLogP4.32
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.32
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)-5-phenylpentan-1-one
CID 167571586
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-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one
CID 167540322
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)-6-phenylhexan-1-one?
The IUPAC name of 1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-6-phenylhexan-1-one (CID 167578699) is 1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-6-phenylhexan-1-one.
What is the SMILES notation for 1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-6-phenylhexan-1-one?
The canonical SMILES for 1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-6-phenylhexan-1-one is COc1nc2cc(N3CCOCC3)ccc2n1C(=O)CCCCCc1ccccc1.
What is the InChIKey of 1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-6-phenylhexan-1-one?
The InChIKey is GWKKRKNDUYDSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-29-24-25-21-18-20(26-14-16-30-17-15-26)12-13-22(21)27(24)23(28)11-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,12-13,18H,3,6-7,10-11,14-17H2,1H3.
What are the key properties of 1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-6-phenylhexan-1-one?
1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-6-phenylhexan-1-one has a molecular weight of 407.51 g/mol, XLogP of 4.32, 8 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)-6-phenylhexan-1-one is sourced from PubChem (CID 167578699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).