N-(5-imidazol-1-ylpentyl)-3-methylbenzamide

C16H21N3O — CID 110441440

IUPACN-(5-imidazol-1-ylpentyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCCCCn2ccnc2)c1
InChIInChI=1S/C16H21N3O/c1-14-6-5-7-15(12-14)16(20)18-8-3-2-4-10-19-11-9-17-13-19/h5-7,9,11-13H,2-4,8,10H2,1H3,(H,18,20)
InChIKeyZHYLYJWVJDJLBZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.79
Rot. Bonds7

About N-(5-imidazol-1-ylpentyl)-3-methylbenzamide

N-(5-imidazol-1-ylpentyl)-3-methylbenzamide (PubChem CID 110441440) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(5-imidazol-1-ylpentyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-imidazol-1-ylpentyl)-3-methylbenzamide
PubChem CID110441440
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(5-imidazol-1-ylpentyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCCCCn2ccnc2)c1
InChIInChI=1S/C16H21N3O/c1-14-6-5-7-15(12-14)16(20)18-8-3-2-4-10-19-11-9-17-13-19/h5-7,9,11-13H,2-4,8,10H2,1H3,(H,18,20)
InChIKeyZHYLYJWVJDJLBZ-UHFFFAOYSA-N
XLogP2.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 43333555
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N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
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4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
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4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide
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3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
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
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Frequently Asked Questions

What is the IUPAC name of N-(5-imidazol-1-ylpentyl)-3-methylbenzamide?
The IUPAC name of N-(5-imidazol-1-ylpentyl)-3-methylbenzamide (CID 110441440) is N-(5-imidazol-1-ylpentyl)-3-methylbenzamide.
What is the SMILES notation for N-(5-imidazol-1-ylpentyl)-3-methylbenzamide?
The canonical SMILES for N-(5-imidazol-1-ylpentyl)-3-methylbenzamide is Cc1cccc(C(=O)NCCCCCn2ccnc2)c1.
What is the InChIKey of N-(5-imidazol-1-ylpentyl)-3-methylbenzamide?
The InChIKey is ZHYLYJWVJDJLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-14-6-5-7-15(12-14)16(20)18-8-3-2-4-10-19-11-9-17-13-19/h5-7,9,11-13H,2-4,8,10H2,1H3,(H,18,20).
What are the key properties of N-(5-imidazol-1-ylpentyl)-3-methylbenzamide?
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide has a molecular weight of 271.36 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazol-1-ylpentyl)-3-methylbenzamide is sourced from PubChem (CID 110441440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).