N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide

C15H16N6O — CID 77097246

IUPACN-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C15H16N6O/c22-15(17-5-2-7-20-8-6-16-10-20)13-3-1-4-14(9-13)21-11-18-19-12-21/h1,3-4,6,8-12H,2,5,7H2,(H,17,22)
InChIKeyNFBSPPLBJDRKDP-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.28
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide

N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 77097246) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID77097246
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C15H16N6O/c22-15(17-5-2-7-20-8-6-16-10-20)13-3-1-4-14(9-13)21-11-18-19-12-21/h1,3-4,6,8-12H,2,5,7H2,(H,17,22)
InChIKeyNFBSPPLBJDRKDP-UHFFFAOYSA-N
XLogP1.28
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 51328573
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
CID 4144744
N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide
CID 52992825
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 55771311
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(3-imidazol-1-ylpropyl)isoquinoline-6-carboxamide
CID 110485164

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide (CID 77097246) is N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide is O=C(NCCCn1ccnc1)c1cccc(-n2cnnc2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is NFBSPPLBJDRKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c22-15(17-5-2-7-20-8-6-16-10-20)13-3-1-4-14(9-13)21-11-18-19-12-21/h1,3-4,6,8-12H,2,5,7H2,(H,17,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide?
N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 296.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 77097246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).