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

C21H24ClN3O — CID 18885480

IUPAC4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine
SMILESClc1ccc(Cn2c(CCCN3CCOCC3)nc3ccccc32)cc1
InChIInChI=1S/C21H24ClN3O/c22-18-9-7-17(8-10-18)16-25-20-5-2-1-4-19(20)23-21(25)6-3-11-24-12-14-26-15-13-24/h1-2,4-5,7-10H,3,6,11-16H2
InChIKeyAEPADLRRJQKUQP-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.00
Rot. Bonds6

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

4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine (PubChem CID 18885480) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine
PubChem CID18885480
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine
SMILESClc1ccc(Cn2c(CCCN3CCOCC3)nc3ccccc32)cc1
InChIInChI=1S/C21H24ClN3O/c22-18-9-7-17(8-10-18)16-25-20-5-2-1-4-19(20)23-21(25)6-3-11-24-12-14-26-15-13-24/h1-2,4-5,7-10H,3,6,11-16H2
InChIKeyAEPADLRRJQKUQP-UHFFFAOYSA-N
XLogP4.00
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
CID 90040298
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3155712
2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18885630
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
CID 18885452
4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
CID 43348277
4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine
CID 16805688
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]morpholine
CID 6494343
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
1-[(2-chloro-6-fluorophenyl)methyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 18885542
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine?
The IUPAC name of 4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine (CID 18885480) is 4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine is Clc1ccc(Cn2c(CCCN3CCOCC3)nc3ccccc32)cc1.
What is the InChIKey of 4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine?
The InChIKey is AEPADLRRJQKUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c22-18-9-7-17(8-10-18)16-25-20-5-2-1-4-19(20)23-21(25)6-3-11-24-12-14-26-15-13-24/h1-2,4-5,7-10H,3,6,11-16H2.
What are the key properties of 4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine?
4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine has a molecular weight of 369.90 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine is sourced from PubChem (CID 18885480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).