N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzamide

C24H29ClN4O — CID 67750394

IUPACN-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzamide
SMILESCC(C)(NCCCc1ncc(CCNC(=O)c2ccccc2)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C24H29ClN4O/c1-24(2,19-10-12-20(25)13-11-19)28-15-6-9-22-27-17-21(29-22)14-16-26-23(30)18-7-4-3-5-8-18/h3-5,7-8,10-13,17,28H,6,9,14-16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyNIPJWSPWXKKKSB-UHFFFAOYSA-N
MW424.98 g/mol
LogP4.49
Rot. Bonds10

About N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzamide

N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzamide (PubChem CID 67750394) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzamide
PubChem CID67750394
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC NameN-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzamide
SMILESCC(C)(NCCCc1ncc(CCNC(=O)c2ccccc2)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C24H29ClN4O/c1-24(2,19-10-12-20(25)13-11-19)28-15-6-9-22-27-17-21(29-22)14-16-26-23(30)18-7-4-3-5-8-18/h3-5,7-8,10-13,17,28H,6,9,14-16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyNIPJWSPWXKKKSB-UHFFFAOYSA-N
XLogP4.49
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide
CID 67750369
4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666505
tert-butyl N-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]carbamate;N-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-4-fluorobenzamide;iodoform;methane
CID 163647784
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739296
N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158292
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea
CID 113216277
4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
CID 110731802
5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol
CID 111496341
5-benzamido-2-(4-chlorophenoxy)-2-methylpentanoic acid
CID 70276943
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
N-(2-benzamidoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31839795

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzamide?
The IUPAC name of N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzamide (CID 67750394) is N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzamide is CC(C)(NCCCc1ncc(CCNC(=O)c2ccccc2)[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzamide?
The InChIKey is NIPJWSPWXKKKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O/c1-24(2,19-10-12-20(25)13-11-19)28-15-6-9-22-27-17-21(29-22)14-16-26-23(30)18-7-4-3-5-8-18/h3-5,7-8,10-13,17,28H,6,9,14-16H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzamide?
N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzamide has a molecular weight of 424.98 g/mol, XLogP of 4.49, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 67750394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).