3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide

C14H16ClN3O — CID 43333555

IUPAC3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(CCl)c1
InChIInChI=1S/C14H16ClN3O/c15-10-12-3-1-4-13(9-12)14(19)17-5-2-7-18-8-6-16-11-18/h1,3-4,6,8-9,11H,2,5,7,10H2,(H,17,19)
InChIKeyDUGBEHDHLFADJQ-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.44
Rot. Bonds6

About 3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide

3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 43333555) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID43333555
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(CCl)c1
InChIInChI=1S/C14H16ClN3O/c15-10-12-3-1-4-13(9-12)14(19)17-5-2-7-18-8-6-16-11-18/h1,3-4,6,8-9,11H,2,5,7,10H2,(H,17,19)
InChIKeyDUGBEHDHLFADJQ-UHFFFAOYSA-N
XLogP2.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 55771311
N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 77097246
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
CID 4144744
N-(3-imidazol-1-ylpropyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38103746
N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide
CID 52992825
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513232
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513286
3-[(2-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513235
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide (CID 43333555) is 3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide is O=C(NCCCn1ccnc1)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is DUGBEHDHLFADJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-10-12-3-1-4-13(9-12)14(19)17-5-2-7-18-8-6-16-11-18/h1,3-4,6,8-9,11H,2,5,7,10H2,(H,17,19).
What are the key properties of 3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide?
3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 277.76 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 43333555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).