4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine

C24H30ClN3O2 — CID 18885118

IUPAC4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine
SMILESCc1cc(OCCCCn2c(C(C)N3CCOCC3)nc3ccccc32)ccc1Cl
InChIInChI=1S/C24H30ClN3O2/c1-18-17-20(9-10-21(18)25)30-14-6-5-11-28-23-8-4-3-7-22(23)26-24(28)19(2)27-12-15-29-16-13-27/h3-4,7-10,17,19H,5-6,11-16H2,1-2H3
InChIKeyFTRZFWMKRRQXFH-UHFFFAOYSA-N
MW427.98 g/mol
LogP5.25
Rot. Bonds8

About 4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine

4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine (PubChem CID 18885118) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine
PubChem CID18885118
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine
SMILESCc1cc(OCCCCn2c(C(C)N3CCOCC3)nc3ccccc32)ccc1Cl
InChIInChI=1S/C24H30ClN3O2/c1-18-17-20(9-10-21(18)25)30-14-6-5-11-28-23-8-4-3-7-22(23)26-24(28)19(2)27-12-15-29-16-13-27/h3-4,7-10,17,19H,5-6,11-16H2,1-2H3
InChIKeyFTRZFWMKRRQXFH-UHFFFAOYSA-N
XLogP5.25
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.98
LogP ≤ 55.25
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

4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885104
4-[3-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]morpholine
CID 18885507
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999141
1-[4-(4-methoxyphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885098
3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine
CID 82310821
N-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009735
N-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973543
N-[1-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972594
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole
CID 16999173
1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885099
N-[1-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970030
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16999148

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine?
The IUPAC name of 4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine (CID 18885118) is 4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine is Cc1cc(OCCCCn2c(C(C)N3CCOCC3)nc3ccccc32)ccc1Cl.
What is the InChIKey of 4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine?
The InChIKey is FTRZFWMKRRQXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-18-17-20(9-10-21(18)25)30-14-6-5-11-28-23-8-4-3-7-22(23)26-24(28)19(2)27-12-15-29-16-13-27/h3-4,7-10,17,19H,5-6,11-16H2,1-2H3.
What are the key properties of 4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine?
4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine has a molecular weight of 427.98 g/mol, XLogP of 5.25, 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-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine is sourced from PubChem (CID 18885118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).