N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide

C18H21N5O — CID 166278287

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide
SMILESCc1cnc(CCC(=O)Nc2ccc(-n3cnc(C)c3C)cc2)[nH]1
InChIInChI=1S/C18H21N5O/c1-12-10-19-17(21-12)8-9-18(24)22-15-4-6-16(7-5-15)23-11-20-13(2)14(23)3/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)(H,22,24)
InChIKeyQXPXOPNSEHBEOB-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.09
Rot. Bonds5

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide (PubChem CID 166278287) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide
PubChem CID166278287
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide
SMILESCc1cnc(CCC(=O)Nc2ccc(-n3cnc(C)c3C)cc2)[nH]1
InChIInChI=1S/C18H21N5O/c1-12-10-19-17(21-12)8-9-18(24)22-15-4-6-16(7-5-15)23-11-20-13(2)14(23)3/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)(H,22,24)
InChIKeyQXPXOPNSEHBEOB-UHFFFAOYSA-N
XLogP3.09
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide
CID 166215906
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
CID 166215458
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 166215851
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide
CID 166215428
3-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166299122
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 166350115
5-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pentanamide;2,2,2-trifluoroacetic acid
CID 166299142
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(methylsulfamoyl)propanamide;2,2,2-trifluoroacetic acid
CID 167745317
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide
CID 166254454
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-hydroxy-2,2-dimethylpropanamide
CID 166241383

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide (CID 166278287) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide is Cc1cnc(CCC(=O)Nc2ccc(-n3cnc(C)c3C)cc2)[nH]1.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide?
The InChIKey is QXPXOPNSEHBEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-10-19-17(21-12)8-9-18(24)22-15-4-6-16(7-5-15)23-11-20-13(2)14(23)3/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)(H,22,24).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide has a molecular weight of 323.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 166278287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).