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

C15H20ClN3O — CID 43348277

IUPAC4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
SMILESClCc1nc2ccccc2n1CCCN1CCOCC1
InChIInChI=1S/C15H20ClN3O/c16-12-15-17-13-4-1-2-5-14(13)19(15)7-3-6-18-8-10-20-11-9-18/h1-2,4-5H,3,6-12H2
InChIKeyKCUWCJXNPQJSBS-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.50
Rot. Bonds5

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

4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine (PubChem CID 43348277) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
PubChem CID43348277
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
SMILESClCc1nc2ccccc2n1CCCN1CCOCC1
InChIInChI=1S/C15H20ClN3O/c16-12-15-17-13-4-1-2-5-14(13)19(15)7-3-6-18-8-10-20-11-9-18/h1-2,4-5H,3,6-12H2
InChIKeyKCUWCJXNPQJSBS-UHFFFAOYSA-N
XLogP2.50
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine
CID 16805688
4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine
CID 18885480
[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol
CID 46309520
4-[3-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]morpholine
CID 18885507
4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine
CID 164835741
4-[3-[2-[[(4aS,10bR)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]benzimidazol-1-yl]propyl]morpholine
CID 86629231
3-[2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 29075881
4-[2-(chloromethyl)benzimidazol-1-yl]butan-1-imine
CID 142131959
4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine
CID 62533395
4-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]morpholine
CID 6494342
1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 12515389
4-[3-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]propyl]morpholine
CID 18885473

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine (CID 43348277) is 4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine is ClCc1nc2ccccc2n1CCCN1CCOCC1.
What is the InChIKey of 4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine?
The InChIKey is KCUWCJXNPQJSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-12-15-17-13-4-1-2-5-14(13)19(15)7-3-6-18-8-10-20-11-9-18/h1-2,4-5H,3,6-12H2.
What are the key properties of 4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine?
4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine has a molecular weight of 293.80 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 43348277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).