N-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-4-yl]heptanamide

C18H22N6O — CID 135427271

IUPACN-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-4-yl]heptanamide
SMILESCCCCCCC(=O)Nc1nc[nH]c1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H22N6O/c1-2-3-4-8-11-14(25)21-17-15(19-12-20-17)18-22-16(23-24-18)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,19,20)(H,21,25)(H,22,23,24)
InChIKeyKZMWXGUUYXEOMT-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.77
Rot. Bonds8

About N-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-4-yl]heptanamide

N-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-4-yl]heptanamide (PubChem CID 135427271) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-4-yl]heptanamide.

Molecular Properties

Compound NameN-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-4-yl]heptanamide
PubChem CID135427271
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-4-yl]heptanamide
SMILESCCCCCCC(=O)Nc1nc[nH]c1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H22N6O/c1-2-3-4-8-11-14(25)21-17-15(19-12-20-17)18-22-16(23-24-18)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,19,20)(H,21,25)(H,22,23,24)
InChIKeyKZMWXGUUYXEOMT-UHFFFAOYSA-N
XLogP3.77
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-phenyl-2H-triazol-4-yl)heptanamide
CID 101432719
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide
CID 60552910
N-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]hexanamide
CID 7908419
N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]octadecanamide
CID 14273547
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-(5-methyl-1H-pyrazol-3-yl)nonanamide
CID 47289748
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
2-butyl-4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 55990409
N-(2-hydroxy-5-phenylphenyl)octanamide
CID 155558351
N-[3-benzyl-5-(4-methylphenyl)pyrazin-2-yl]octanamide
CID 101152388

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-4-yl]heptanamide?
The IUPAC name of N-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-4-yl]heptanamide (CID 135427271) is N-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-4-yl]heptanamide.
What is the SMILES notation for N-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-4-yl]heptanamide?
The canonical SMILES for N-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-4-yl]heptanamide is CCCCCCC(=O)Nc1nc[nH]c1-c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-4-yl]heptanamide?
The InChIKey is KZMWXGUUYXEOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-2-3-4-8-11-14(25)21-17-15(19-12-20-17)18-22-16(23-24-18)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,19,20)(H,21,25)(H,22,23,24).
What are the key properties of N-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-4-yl]heptanamide?
N-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-4-yl]heptanamide has a molecular weight of 338.42 g/mol, XLogP of 3.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-4-yl]heptanamide is sourced from PubChem (CID 135427271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).