4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine

C24H31N3O2 — CID 18885104

IUPAC4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine
SMILESCc1ccccc1OCCCCn1c(C(C)N2CCOCC2)nc2ccccc21
InChIInChI=1S/C24H31N3O2/c1-19-9-3-6-12-23(19)29-16-8-7-13-27-22-11-5-4-10-21(22)25-24(27)20(2)26-14-17-28-18-15-26/h3-6,9-12,20H,7-8,13-18H2,1-2H3
InChIKeyONVXEYZKQOAZKN-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.60
Rot. Bonds8

About 4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine

4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine (PubChem CID 18885104) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine
PubChem CID18885104
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine
SMILESCc1ccccc1OCCCCn1c(C(C)N2CCOCC2)nc2ccccc21
InChIInChI=1S/C24H31N3O2/c1-19-9-3-6-12-23(19)29-16-8-7-13-27-22-11-5-4-10-21(22)25-24(27)20(2)26-14-17-28-18-15-26/h3-6,9-12,20H,7-8,13-18H2,1-2H3
InChIKeyONVXEYZKQOAZKN-UHFFFAOYSA-N
XLogP4.60
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,3-dimethylphenoxy)butyl]-2-[1-(4-methylpiperazin-1-yl)ethyl]benzimidazole
CID 18885216
4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885118
1-[4-(2,5-dimethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885088
3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine
CID 82310821
1-[4-(2-methylphenoxy)butyl]-2-pentan-3-ylbenzimidazole
CID 18879067
1-[4-(2-methylphenoxy)butyl]-2-(1-phenoxypropyl)benzimidazole
CID 18878039
1-[4-(4-methoxyphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885098
1-[3-(2-prop-2-enylphenoxy)propyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885072
N-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967407
2-[1-(azepan-1-yl)ethyl]-1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazole
CID 18885294
(1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962325
4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 96571426

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine?
The IUPAC name of 4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine (CID 18885104) is 4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine is Cc1ccccc1OCCCCn1c(C(C)N2CCOCC2)nc2ccccc21.
What is the InChIKey of 4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine?
The InChIKey is ONVXEYZKQOAZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-19-9-3-6-12-23(19)29-16-8-7-13-27-22-11-5-4-10-21(22)25-24(27)20(2)26-14-17-28-18-15-26/h3-6,9-12,20H,7-8,13-18H2,1-2H3.
What are the key properties of 4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine?
4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine has a molecular weight of 393.53 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine is sourced from PubChem (CID 18885104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).