4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine

C24H31N3O — CID 18885134

IUPAC4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
SMILESCCC(C)c1ccc(Cn2c(C(C)N3CCOCC3)nc3ccccc32)cc1
InChIInChI=1S/C24H31N3O/c1-4-18(2)21-11-9-20(10-12-21)17-27-23-8-6-5-7-22(23)25-24(27)19(3)26-13-15-28-16-14-26/h5-12,18-19H,4,13-17H2,1-3H3
InChIKeyGRRZTFAROMSZOY-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.99
Rot. Bonds6

About 4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine

4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine (PubChem CID 18885134) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
PubChem CID18885134
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
SMILESCCC(C)c1ccc(Cn2c(C(C)N3CCOCC3)nc3ccccc32)cc1
InChIInChI=1S/C24H31N3O/c1-4-18(2)21-11-9-20(10-12-21)17-27-23-8-6-5-7-22(23)25-24(27)19(3)26-13-15-28-16-14-26/h5-12,18-19H,4,13-17H2,1-3H3
InChIKeyGRRZTFAROMSZOY-UHFFFAOYSA-N
XLogP4.99
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 96571426
3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine
CID 82310821
2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole
CID 18885276
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968587
1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999559
1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole
CID 17000154
2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole
CID 70368929
1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 17000265
N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006059
4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885104

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine?
The IUPAC name of 4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine (CID 18885134) is 4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine is CCC(C)c1ccc(Cn2c(C(C)N3CCOCC3)nc3ccccc32)cc1.
What is the InChIKey of 4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine?
The InChIKey is GRRZTFAROMSZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-4-18(2)21-11-9-20(10-12-21)17-27-23-8-6-5-7-22(23)25-24(27)19(3)26-13-15-28-16-14-26/h5-12,18-19H,4,13-17H2,1-3H3.
What are the key properties of 4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine?
4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine has a molecular weight of 377.53 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine is sourced from PubChem (CID 18885134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).