2,4-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzamide

C20H18Cl2N4O2 — CID 3133487

IUPAC2,4-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCCn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl2N4O2/c21-14-6-7-15(17(22)12-14)20(28)25-18-5-2-1-4-16(18)19(27)24-8-3-10-26-11-9-23-13-26/h1-2,4-7,9,11-13H,3,8,10H2,(H,24,27)(H,25,28)
InChIKeyUBEIMOKKDKQPBV-UHFFFAOYSA-N
MW417.30 g/mol
LogP4.26
Rot. Bonds7

About 2,4-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzamide

2,4-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzamide (PubChem CID 3133487) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzamide
PubChem CID3133487
Molecular FormulaC20H18Cl2N4O2
Molecular Weight417.30 g/mol
Exact Mass416.08
IUPAC Name2,4-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCCn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl2N4O2/c21-14-6-7-15(17(22)12-14)20(28)25-18-5-2-1-4-16(18)19(27)24-8-3-10-26-11-9-23-13-26/h1-2,4-7,9,11-13H,3,8,10H2,(H,24,27)(H,25,28)
InChIKeyUBEIMOKKDKQPBV-UHFFFAOYSA-N
XLogP4.26
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2842664
3-(2,6-dichlorophenyl)-7-{[3-(1H-imidazol-1-yl)propyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328712
8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one
CID 156596362
Azole, 1
CID 53348132
3,5-dichloro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
CID 16239233
2-chloro-N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 18129604
N-(3-chloro-2-methylphenyl)-6-(1H-imidazol-1-yl)nicotinamide
CID 1473674
4-Chloro-N-(8-imidazol-1-yl-octyl)-benzamide
CID 9884086
4-(5-{[1-(2-Chloro-benzoyl)-pyrrolidin-3-ylamino]-methyl}-imidazol-1-ylmethyl)-benzonitrile
CID 11048052
4-[N-[7-Chloro-3-methyl-2-(4-methyl-piperazin-1-yl)methyl-4-oxo-3,4-dihydroquinazolin-6-ylmethyl]-N-(prop-2-ynyl)amino]-N-[3-(1H-imidazol-1-yl)propyl)benzamide
CID 11114675
2-Amino-5-chloro-N-(3-imidazol-1-yl-2-methyl-propyl)-benzamide
CID 13952745
3-(5-Imidazol-1-yl-pentyl)-1H-quinazoline-2,4-dione
CID 13952771

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzamide (CID 3133487) is 2,4-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)NCCCn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzamide?
The InChIKey is UBEIMOKKDKQPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2/c21-14-6-7-15(17(22)12-14)20(28)25-18-5-2-1-4-16(18)19(27)24-8-3-10-26-11-9-23-13-26/h1-2,4-7,9,11-13H,3,8,10H2,(H,24,27)(H,25,28).
What are the key properties of 2,4-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzamide?
2,4-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzamide has a molecular weight of 417.30 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(3-imidazol-1-ylpropylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 3133487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).