4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide

C15H19N3O — CID 43918417

IUPAC4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
SMILESCc1nccn1Cc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C15H19N3O/c1-11(2)17-15(19)14-6-4-13(5-7-14)10-18-9-8-16-12(18)3/h4-9,11H,10H2,1-3H3,(H,17,19)
InChIKeyANHRQSIDXFONRX-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.38
Rot. Bonds4

About 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide

4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 43918417) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID43918417
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
SMILESCc1nccn1Cc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C15H19N3O/c1-11(2)17-15(19)14-6-4-13(5-7-14)10-18-9-8-16-12(18)3/h4-9,11H,10H2,1-3H3,(H,17,19)
InChIKeyANHRQSIDXFONRX-UHFFFAOYSA-N
XLogP2.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide 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-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide
CID 133220620
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925860
4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 46776702
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918037
N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43919290
N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide
CID 93492375
N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925818
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
CID 100588442
4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921887
N-(4-cyclopentyloxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46775326
methyl 4-chloro-3-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzoate
CID 43925127

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide (CID 43918417) is 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide is Cc1nccn1Cc1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is ANHRQSIDXFONRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)17-15(19)14-6-4-13(5-7-14)10-18-9-8-16-12(18)3/h4-9,11H,10H2,1-3H3,(H,17,19).
What are the key properties of 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide?
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 257.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 43918417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).