N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-[4-(1H-imidazol-2-yl)butyl]propanamide

C21H27N5O — CID 70462467

IUPACN-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-[4-(1H-imidazol-2-yl)butyl]propanamide
SMILESCc1cccc(C)c1N(CCCCc1ncc[nH]1)C(=O)C(C)n1ccnc1
InChIInChI=1S/C21H27N5O/c1-16-7-6-8-17(2)20(16)26(13-5-4-9-19-23-10-11-24-19)21(27)18(3)25-14-12-22-15-25/h6-8,10-12,14-15,18H,4-5,9,13H2,1-3H3,(H,23,24)
InChIKeyUSPJZVFFDUXIGT-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.84
Rot. Bonds8

About N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-[4-(1H-imidazol-2-yl)butyl]propanamide

N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-[4-(1H-imidazol-2-yl)butyl]propanamide (PubChem CID 70462467) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-[4-(1H-imidazol-2-yl)butyl]propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-[4-(1H-imidazol-2-yl)butyl]propanamide
PubChem CID70462467
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-[4-(1H-imidazol-2-yl)butyl]propanamide
SMILESCc1cccc(C)c1N(CCCCc1ncc[nH]1)C(=O)C(C)n1ccnc1
InChIInChI=1S/C21H27N5O/c1-16-7-6-8-17(2)20(16)26(13-5-4-9-19-23-10-11-24-19)21(27)18(3)25-14-12-22-15-25/h6-8,10-12,14-15,18H,4-5,9,13H2,1-3H3,(H,23,24)
InChIKeyUSPJZVFFDUXIGT-UHFFFAOYSA-N
XLogP3.84
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-[4-(1H-imidazol-2-yl)butyl]propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-[4-(1H-imidazol-2-yl)butyl]propanamide (CID 70462467) is N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-[4-(1H-imidazol-2-yl)butyl]propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-[4-(1H-imidazol-2-yl)butyl]propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-[4-(1H-imidazol-2-yl)butyl]propanamide is Cc1cccc(C)c1N(CCCCc1ncc[nH]1)C(=O)C(C)n1ccnc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-[4-(1H-imidazol-2-yl)butyl]propanamide?
The InChIKey is USPJZVFFDUXIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16-7-6-8-17(2)20(16)26(13-5-4-9-19-23-10-11-24-19)21(27)18(3)25-14-12-22-15-25/h6-8,10-12,14-15,18H,4-5,9,13H2,1-3H3,(H,23,24).
What are the key properties of N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-[4-(1H-imidazol-2-yl)butyl]propanamide?
N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-[4-(1H-imidazol-2-yl)butyl]propanamide has a molecular weight of 365.48 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-[4-(1H-imidazol-2-yl)butyl]propanamide is sourced from PubChem (CID 70462467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).