N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-ethyl-5-propyltriazole-4-carboxamide

C19H24N6O — CID 166278298

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-ethyl-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)nnn1CC
InChIInChI=1S/C19H24N6O/c1-5-7-17-18(22-23-25(17)6-2)19(26)21-15-8-10-16(11-9-15)24-12-20-13(3)14(24)4/h8-12H,5-7H2,1-4H3,(H,21,26)
InChIKeyBRQHQXRUSPSCRC-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.31
Rot. Bonds6

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-ethyl-5-propyltriazole-4-carboxamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-ethyl-5-propyltriazole-4-carboxamide (PubChem CID 166278298) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-ethyl-5-propyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-ethyl-5-propyltriazole-4-carboxamide
PubChem CID166278298
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-ethyl-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)nnn1CC
InChIInChI=1S/C19H24N6O/c1-5-7-17-18(22-23-25(17)6-2)19(26)21-15-8-10-16(11-9-15)24-12-20-13(3)14(24)4/h8-12H,5-7H2,1-4H3,(H,21,26)
InChIKeyBRQHQXRUSPSCRC-UHFFFAOYSA-N
XLogP3.31
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 166285375
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide
CID 166327066
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide
CID 166327124
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide
CID 166340631
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
CID 166215458
N'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide
CID 166305029
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide
CID 166340671
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
CID 166215679
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 166215741

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-ethyl-5-propyltriazole-4-carboxamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-ethyl-5-propyltriazole-4-carboxamide (CID 166278298) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-ethyl-5-propyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-ethyl-5-propyltriazole-4-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-ethyl-5-propyltriazole-4-carboxamide is CCCc1c(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)nnn1CC.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-ethyl-5-propyltriazole-4-carboxamide?
The InChIKey is BRQHQXRUSPSCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-5-7-17-18(22-23-25(17)6-2)19(26)21-15-8-10-16(11-9-15)24-12-20-13(3)14(24)4/h8-12H,5-7H2,1-4H3,(H,21,26).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-ethyl-5-propyltriazole-4-carboxamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-ethyl-5-propyltriazole-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-ethyl-5-propyltriazole-4-carboxamide is sourced from PubChem (CID 166278298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).