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

C50H70N10O6 — CID 167534666

IUPAC6-(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
SMILESCOc1nc2cc(N3CCOCC3)ccc2n1C(=O)CCCCCn1ccc(C(C)(C)C)n1.COc1nc2ccc(N3CCOCC3)cc2n1C(=O)CCCCCn1ccc(C(C)(C)C)n1
InChIInChI=1S/2C25H35N5O3/c1-25(2,3)22-11-13-29(27-22)12-7-5-6-8-23(31)30-21-10-9-19(28-14-16-33-17-15-28)18-20(21)26-24(30)32-4;1-25(2,3)22-11-13-29(27-22)12-7-5-6-8-23(31)30-21-18-19(28-14-16-33-17-15-28)9-10-20(21)26-24(30)32-4/h2*9-11,13,18H,5-8,12,14-17H2,1-4H3
InChIKeyAKKNFAGELDJFQS-UHFFFAOYSA-N
MW907.17 g/mol
LogP8.55
Rot. Bonds16

About 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

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 (PubChem CID 167534666) has the molecular formula C50H70N10O6 and a molecular weight of 907.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID167534666
Molecular FormulaC50H70N10O6
Molecular Weight907.17 g/mol
Exact Mass906.55
IUPAC Name6-(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
SMILESCOc1nc2cc(N3CCOCC3)ccc2n1C(=O)CCCCCn1ccc(C(C)(C)C)n1.COc1nc2ccc(N3CCOCC3)cc2n1C(=O)CCCCCn1ccc(C(C)(C)C)n1
InChIInChI=1S/2C25H35N5O3/c1-25(2,3)22-11-13-29(27-22)12-7-5-6-8-23(31)30-21-10-9-19(28-14-16-33-17-15-28)18-20(21)26-24(30)32-4;1-25(2,3)22-11-13-29(27-22)12-7-5-6-8-23(31)30-21-18-19(28-14-16-33-17-15-28)9-10-20(21)26-24(30)32-4/h2*9-11,13,18H,5-8,12,14-17H2,1-4H3
InChIKeyAKKNFAGELDJFQS-UHFFFAOYSA-N
XLogP8.55
TPSA148.82 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500907.17
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-6-phenylhexan-1-one
CID 167578699
1-(2-methoxy-5-morpholin-4-ylbenzimidazol-1-yl)-5-phenylpentan-1-one
CID 167571586
1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one
CID 167540322
4-[3-(4-cyclopropylbutyl)-2-methoxybenzimidazol-5-yl]morpholine
CID 175756694
4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid
CID 102942059
4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine
CID 174708451
3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117417021
4-[1-(4-methoxyphenyl)benzimidazol-5-yl]morpholine
CID 164852088
1-[5-(1-acetyl-5-morpholin-4-ylbenzimidazol-2-yl)-2-[4-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]phenyl]benzimidazol-1-yl]ethanone
CID 89397796
1-[6-fluoro-2-methoxy-5-[4-(1-methylazetidin-3-yl)piperazin-1-yl]benzimidazol-1-yl]-5-phenylpentan-1-one
CID 167583471
2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
CID 162530946
3-tert-butyl-1-[2-(2-morpholin-4-ylethyl)indazol-6-yl]pyrazol-5-amine
CID 86686713

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1nc2cc(N3CCOCC3)ccc2n1C(=O)CCCCCn1ccc(C(C)(C)C)n1.COc1nc2ccc(N3CCOCC3)cc2n1C(=O)CCCCCn1ccc(C(C)(C)C)n1.
What is the InChIKey of 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?
The InChIKey is AKKNFAGELDJFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H35N5O3/c1-25(2,3)22-11-13-29(27-22)12-7-5-6-8-23(31)30-21-10-9-19(28-14-16-33-17-15-28)18-20(21)26-24(30)32-4;1-25(2,3)22-11-13-29(27-22)12-7-5-6-8-23(31)30-21-18-19(28-14-16-33-17-15-28)9-10-20(21)26-24(30)32-4/h2*9-11,13,18H,5-8,12,14-17H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 907.17 g/mol, XLogP of 8.55, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167534666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).