4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine

C24H31N3O — CID 96571426

IUPAC4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
SMILESCc1cc(C)c(C)c(Cn2c([C@H](C)N3CCOCC3)nc3ccccc32)c1C
InChIInChI=1S/C24H31N3O/c1-16-14-17(2)19(4)21(18(16)3)15-27-23-9-7-6-8-22(23)25-24(27)20(5)26-10-12-28-13-11-26/h6-9,14,20H,10-13,15H2,1-5H3/t20-/m0/s1
InChIKeyROTPGRGKYYUNCQ-FQEVSTJZSA-N
MW377.53 g/mol
LogP4.71
Rot. Bonds4

About 4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine

4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine (PubChem CID 96571426) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
PubChem CID96571426
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
SMILESCc1cc(C)c(C)c(Cn2c([C@H](C)N3CCOCC3)nc3ccccc32)c1C
InChIInChI=1S/C24H31N3O/c1-16-14-17(2)19(4)21(18(16)3)15-27-23-9-7-6-8-22(23)25-24(27)20(5)26-10-12-28-13-11-26/h6-9,14,20H,10-13,15H2,1-5H3/t20-/m0/s1
InChIKeyROTPGRGKYYUNCQ-FQEVSTJZSA-N
XLogP4.71
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine with MolForge

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Related Compounds

4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 96571422
4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885131
(1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 962322
4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885134
3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine
CID 82310821
4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885104
4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885118
2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16969327
2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16969177
2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole
CID 18885276
1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole
CID 92735667
2-[3-(azepan-1-yl)propyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 18885639

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine?
The IUPAC name of 4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine (CID 96571426) is 4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine is Cc1cc(C)c(C)c(Cn2c([C@H](C)N3CCOCC3)nc3ccccc32)c1C.
What is the InChIKey of 4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine?
The InChIKey is ROTPGRGKYYUNCQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H31N3O/c1-16-14-17(2)19(4)21(18(16)3)15-27-23-9-7-6-8-22(23)25-24(27)20(5)26-10-12-28-13-11-26/h6-9,14,20H,10-13,15H2,1-5H3/t20-/m0/s1.
What are the key properties of 4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine?
4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine has a molecular weight of 377.53 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine is sourced from PubChem (CID 96571426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).