N-(3-imidazol-1-ylpropyl)-2-methylbenzamide

C14H17N3O — CID 2842883

IUPACN-(3-imidazol-1-ylpropyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C14H17N3O/c1-12-5-2-3-6-13(12)14(18)16-7-4-9-17-10-8-15-11-17/h2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,16,18)
InChIKeyCUZIUQUKUKHCBO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.01
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-2-methylbenzamide

N-(3-imidazol-1-ylpropyl)-2-methylbenzamide (PubChem CID 2842883) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methylbenzamide
PubChem CID2842883
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C14H17N3O/c1-12-5-2-3-6-13(12)14(18)16-7-4-9-17-10-8-15-11-17/h2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,16,18)
InChIKeyCUZIUQUKUKHCBO-UHFFFAOYSA-N
XLogP2.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.01
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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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methylbenzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methylbenzamide (CID 2842883) is N-(3-imidazol-1-ylpropyl)-2-methylbenzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methylbenzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methylbenzamide is Cc1ccccc1C(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methylbenzamide?
The InChIKey is CUZIUQUKUKHCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-12-5-2-3-6-13(12)14(18)16-7-4-9-17-10-8-15-11-17/h2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,16,18).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-methylbenzamide?
N-(3-imidazol-1-ylpropyl)-2-methylbenzamide has a molecular weight of 243.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-methylbenzamide is sourced from PubChem (CID 2842883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).