4-butoxy-N-(1H-imidazol-2-yl)benzamide

C14H17N3O2 — CID 60968641

IUPAC4-butoxy-N-(1H-imidazol-2-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ncc[nH]2)cc1
InChIInChI=1S/C14H17N3O2/c1-2-3-10-19-12-6-4-11(5-7-12)13(18)17-14-15-8-9-16-14/h4-9H,2-3,10H2,1H3,(H2,15,16,17,18)
InChIKeyAHRHYPRSBYLMPD-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.84
Rot. Bonds6

About 4-butoxy-N-(1H-imidazol-2-yl)benzamide

4-butoxy-N-(1H-imidazol-2-yl)benzamide (PubChem CID 60968641) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-butoxy-N-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(1H-imidazol-2-yl)benzamide
PubChem CID60968641
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-butoxy-N-(1H-imidazol-2-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ncc[nH]2)cc1
InChIInChI=1S/C14H17N3O2/c1-2-3-10-19-12-6-4-11(5-7-12)13(18)17-14-15-8-9-16-14/h4-9H,2-3,10H2,1H3,(H2,15,16,17,18)
InChIKeyAHRHYPRSBYLMPD-UHFFFAOYSA-N
XLogP2.84
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-(1H-imidazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 7376074
4-butoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393698
4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide
CID 55027633
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-butoxy-N-(2-chloro-4-pyridinyl)benzamide
CID 103606840
4-pentoxybenzohydrazide
CID 2727702
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
4-butoxy-N-(1,2-oxazol-3-yl)benzamide
CID 25236391
sodium 4-[(4-butoxybenzoyl)amino]benzoate
CID 23690385
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(1H-imidazol-2-yl)benzamide?
The IUPAC name of 4-butoxy-N-(1H-imidazol-2-yl)benzamide (CID 60968641) is 4-butoxy-N-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for 4-butoxy-N-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for 4-butoxy-N-(1H-imidazol-2-yl)benzamide is CCCCOc1ccc(C(=O)Nc2ncc[nH]2)cc1.
What is the InChIKey of 4-butoxy-N-(1H-imidazol-2-yl)benzamide?
The InChIKey is AHRHYPRSBYLMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-3-10-19-12-6-4-11(5-7-12)13(18)17-14-15-8-9-16-14/h4-9H,2-3,10H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-butoxy-N-(1H-imidazol-2-yl)benzamide?
4-butoxy-N-(1H-imidazol-2-yl)benzamide has a molecular weight of 259.31 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 60968641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).