N-butyl-N'-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]butanediamide

C18H23ClN4O2 — CID 5187060

IUPACN-butyl-N'-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]butanediamide
SMILESCCCCNC(=O)CCC(=O)Nc1ncc(-c2cccc(Cl)c2)n1C
InChIInChI=1S/C18H23ClN4O2/c1-3-4-10-20-16(24)8-9-17(25)22-18-21-12-15(23(18)2)13-6-5-7-14(19)11-13/h5-7,11-12H,3-4,8-10H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyJWOIQRUZNNXMIP-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.38
Rot. Bonds8

About N-butyl-N'-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]butanediamide

N-butyl-N'-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]butanediamide (PubChem CID 5187060) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-butyl-N'-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]butanediamide.

Molecular Properties

Compound NameN-butyl-N'-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]butanediamide
PubChem CID5187060
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-butyl-N'-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]butanediamide
SMILESCCCCNC(=O)CCC(=O)Nc1ncc(-c2cccc(Cl)c2)n1C
InChIInChI=1S/C18H23ClN4O2/c1-3-4-10-20-16(24)8-9-17(25)22-18-21-12-15(23(18)2)13-6-5-7-14(19)11-13/h5-7,11-12H,3-4,8-10H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyJWOIQRUZNNXMIP-UHFFFAOYSA-N
XLogP3.38
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.38
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

5-(3-chlorophenyl)-1-methylimidazole-2-carboxylic acid
CID 84699681
N-[3-(3-chlorophenyl)propyl]pentanamide
CID 10562858
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
2-chloro-5-(3-chlorophenyl)-1-methylimidazole
CID 117259913
N-butyl-3-(4-chloropyrazol-1-yl)propanamide
CID 19539689
N-butyl-2-[(3-chlorophenyl)methylsulfonyl]acetamide
CID 47155845
3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
CID 109032115
N-[5-(3-bromophenyl)-1-methylimidazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
CID 91800628
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine
CID 45147023
N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide
CID 4275920
tert-butyl 2-(butoxycarbonylamino)-5-[3-[2-(3-chlorophenyl)ethynyl]phenyl]imidazole-1-carboxylate
CID 68895862

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]butanediamide?
The IUPAC name of N-butyl-N'-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]butanediamide (CID 5187060) is N-butyl-N'-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]butanediamide.
What is the SMILES notation for N-butyl-N'-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]butanediamide?
The canonical SMILES for N-butyl-N'-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]butanediamide is CCCCNC(=O)CCC(=O)Nc1ncc(-c2cccc(Cl)c2)n1C.
What is the InChIKey of N-butyl-N'-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]butanediamide?
The InChIKey is JWOIQRUZNNXMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-3-4-10-20-16(24)8-9-17(25)22-18-21-12-15(23(18)2)13-6-5-7-14(19)11-13/h5-7,11-12H,3-4,8-10H2,1-2H3,(H,20,24)(H,21,22,25).
What are the key properties of N-butyl-N'-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]butanediamide?
N-butyl-N'-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]butanediamide has a molecular weight of 362.86 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]butanediamide is sourced from PubChem (CID 5187060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).