4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine

C21H25N3O — CID 16805688

IUPAC4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine
SMILESc1ccc(CCCn2c(CN3CCOCC3)nc3ccccc32)cc1
InChIInChI=1S/C21H25N3O/c1-2-7-18(8-3-1)9-6-12-24-20-11-5-4-10-19(20)22-21(24)17-23-13-15-25-16-14-23/h1-5,7-8,10-11H,6,9,12-17H2
InChIKeyCMKMRRZIYFCYDG-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.50
Rot. Bonds6

About 4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine

4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine (PubChem CID 16805688) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine
PubChem CID16805688
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine
SMILESc1ccc(CCCn2c(CN3CCOCC3)nc3ccccc32)cc1
InChIInChI=1S/C21H25N3O/c1-2-7-18(8-3-1)9-6-12-24-20-11-5-4-10-19(20)22-21(24)17-23-13-15-25-16-14-23/h1-5,7-8,10-11H,6,9,12-17H2
InChIKeyCMKMRRZIYFCYDG-UHFFFAOYSA-N
XLogP3.50
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
CID 43348277
4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine
CID 18885480
4-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]morpholine
CID 6494342
4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine
CID 18885145
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
4-[[1-[(3-nitrophenyl)methyl]benzimidazol-2-yl]methyl]morpholine
CID 67262100
4-[[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]methyl]morpholine
CID 50744797
1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole
CID 19243007
4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]morpholine
CID 6494343
2-(azepan-1-ylmethyl)-1-(4-phenoxybutyl)benzimidazole
CID 18885402
1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
CID 90040298
4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide
CID 2947873

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine (CID 16805688) is 4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine is c1ccc(CCCn2c(CN3CCOCC3)nc3ccccc32)cc1.
What is the InChIKey of 4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine?
The InChIKey is CMKMRRZIYFCYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-7-18(8-3-1)9-6-12-24-20-11-5-4-10-19(20)22-21(24)17-23-13-15-25-16-14-23/h1-5,7-8,10-11H,6,9,12-17H2.
What are the key properties of 4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine?
4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine has a molecular weight of 335.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine is sourced from PubChem (CID 16805688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).