N-butyl-N'-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide

C19H26N4O2 — CID 656092

IUPACN-butyl-N'-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide
SMILESCCCCNC(=O)CCC(=O)Nc1ncc(-c2ccc(C)cc2)n1C
InChIInChI=1S/C19H26N4O2/c1-4-5-12-20-17(24)10-11-18(25)22-19-21-13-16(23(19)3)15-8-6-14(2)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,24)(H,21,22,25)
InChIKeyBDWACERBEBGQRE-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.03
Rot. Bonds8

About N-butyl-N'-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide

N-butyl-N'-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide (PubChem CID 656092) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-butyl-N'-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide.

Molecular Properties

Compound NameN-butyl-N'-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide
PubChem CID656092
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-butyl-N'-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide
SMILESCCCCNC(=O)CCC(=O)Nc1ncc(-c2ccc(C)cc2)n1C
InChIInChI=1S/C19H26N4O2/c1-4-5-12-20-17(24)10-11-18(25)22-19-21-13-16(23(19)3)15-8-6-14(2)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,24)(H,21,22,25)
InChIKeyBDWACERBEBGQRE-UHFFFAOYSA-N
XLogP3.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.03
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-(Azetidine-1-carbonyl)-2,3-dimethyl-3H-imidazole-4-carboxylic acid [2-(1-methyl-4-phenyl-1H-imidazol-2-yl)-ethyl]-amide
CID 71288703
7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one
CID 156596361
1-Phenylcarbamoylmethyl-3-p-tolyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16682349
N-acetyl-N-(4-phenyl-1-{[(E)-phenylmethylidene]amino}-1H-imidazol-2-yl)acetamide
CID 9557161
3-(3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide
CID 20867282
Ac-Leu-Leu-Leu-His-Arg-Val-Lys-NHBn(4-amidino)
CID 137647032
N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 843189
Benzyl-(1-methyl-5-phenyl-1H-imidazol-2-yl)-amine
CID 1096462
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide
CID 20868679
N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide
CID 2861400
2-Methyl-6-phenylimidazo[1,2-b][1,2,4]triazin-3(4H)-one
CID 135408195
7-Methyl-2-phenylimidazo[1,2-a]pyrimidin-5-ol
CID 2763440

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide?
The IUPAC name of N-butyl-N'-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide (CID 656092) is N-butyl-N'-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide.
What is the SMILES notation for N-butyl-N'-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide?
The canonical SMILES for N-butyl-N'-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide is CCCCNC(=O)CCC(=O)Nc1ncc(-c2ccc(C)cc2)n1C.
What is the InChIKey of N-butyl-N'-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide?
The InChIKey is BDWACERBEBGQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-5-12-20-17(24)10-11-18(25)22-19-21-13-16(23(19)3)15-8-6-14(2)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,24)(H,21,22,25).
What are the key properties of N-butyl-N'-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide?
N-butyl-N'-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide has a molecular weight of 342.44 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]butanediamide is sourced from PubChem (CID 656092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).