N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,6-dichloro-4-methylbenzamide

C20H25Cl2N7O — CID 143882959

IUPACN-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,6-dichloro-4-methylbenzamide
SMILESCc1cc(Cl)c(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)c(Cl)c1
InChIInChI=1S/C20H25Cl2N7O/c1-13-9-16(21)18(17(22)10-13)19(30)24-7-8-29-12-15(27-28-29)6-4-2-3-5-14-11-25-20(23)26-14/h9-12H,2-8H2,1H3,(H,24,30)(H3,23,25,26)
InChIKeyKJJQYOMYKYQDAJ-UHFFFAOYSA-N
MW450.37 g/mol
LogP3.58
Rot. Bonds10

About N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,6-dichloro-4-methylbenzamide

N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,6-dichloro-4-methylbenzamide (PubChem CID 143882959) has the molecular formula C20H25Cl2N7O and a molecular weight of 450.37 g/mol. Its IUPAC name is N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,6-dichloro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,6-dichloro-4-methylbenzamide
PubChem CID143882959
Molecular FormulaC20H25Cl2N7O
Molecular Weight450.37 g/mol
Exact Mass449.15
IUPAC NameN-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,6-dichloro-4-methylbenzamide
SMILESCc1cc(Cl)c(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)c(Cl)c1
InChIInChI=1S/C20H25Cl2N7O/c1-13-9-16(21)18(17(22)10-13)19(30)24-7-8-29-12-15(27-28-29)6-4-2-3-5-14-11-25-20(23)26-14/h9-12H,2-8H2,1H3,(H,24,30)(H3,23,25,26)
InChIKeyKJJQYOMYKYQDAJ-UHFFFAOYSA-N
XLogP3.58
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,6-dichloro-4-methylbenzamide with MolForge

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Related Compounds

1-[[5-[4-[2-[3-[(2,6-dichlorophenyl)methyl]-2-methyl-4-oxo-1-pyridinyl]ethyl]phenyl]-1H-imidazol-2-yl]methyl]-3-(1H-imidazol-2-yl)urea
CID 17759192
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-hexylbenzamide
CID 57914347
US11845740, No X
CID 146458550
US10112937, Example 393
CID 118893959
N-[2-[4-[5-[2-[(4-butylphenyl)methylamino]-1H-imidazol-5-yl]pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide
CID 71528801
N-[2-[4-[5-(2-amino-1-cyclopentylimidazol-4-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride
CID 71652179
N-[2-[4-[5-(2-amino-1-pentylimidazol-4-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride
CID 71652504
N-[2-[4-[5-(2-amino-1-hexylimidazol-4-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride
CID 71652506
N-[2-[4-[5-(2-amino-1-benzylimidazol-4-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride
CID 71652510
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,4,6-trichlorobenzamide;hydrochloride
CID 118711442
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide
CID 52939192
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride
CID 67064709

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,6-dichloro-4-methylbenzamide?
The IUPAC name of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,6-dichloro-4-methylbenzamide (CID 143882959) is N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,6-dichloro-4-methylbenzamide.
What is the SMILES notation for N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,6-dichloro-4-methylbenzamide?
The canonical SMILES for N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,6-dichloro-4-methylbenzamide is Cc1cc(Cl)c(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)c(Cl)c1.
What is the InChIKey of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,6-dichloro-4-methylbenzamide?
The InChIKey is KJJQYOMYKYQDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N7O/c1-13-9-16(21)18(17(22)10-13)19(30)24-7-8-29-12-15(27-28-29)6-4-2-3-5-14-11-25-20(23)26-14/h9-12H,2-8H2,1H3,(H,24,30)(H3,23,25,26).
What are the key properties of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,6-dichloro-4-methylbenzamide?
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,6-dichloro-4-methylbenzamide has a molecular weight of 450.37 g/mol, XLogP of 3.58, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-2,6-dichloro-4-methylbenzamide is sourced from PubChem (CID 143882959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).