N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide

C21H23N3O2 — CID 131905021

IUPACN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide
SMILESCc1nccn1Cc1ccccc1NC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C21H23N3O2/c1-15(2)26-19-9-6-8-17(13-19)21(25)23-20-10-5-4-7-18(20)14-24-12-11-22-16(24)3/h4-13,15H,14H2,1-3H3,(H,23,25)
InChIKeyJPUGBNRNXDSHJB-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.28
Rot. Bonds6

About N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide

N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide (PubChem CID 131905021) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide
PubChem CID131905021
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide
SMILESCc1nccn1Cc1ccccc1NC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C21H23N3O2/c1-15(2)26-19-9-6-8-17(13-19)21(25)23-20-10-5-4-7-18(20)14-24-12-11-22-16(24)3/h4-13,15H,14H2,1-3H3,(H,23,25)
InChIKeyJPUGBNRNXDSHJB-UHFFFAOYSA-N
XLogP4.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide 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

N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide
CID 131899424
N-[2-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142483
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131940335
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 56506117
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 131932897
N-(2-cyanophenyl)-3-propan-2-yloxybenzamide
CID 924558
N-(2-tert-butylphenyl)-3-propan-2-yloxybenzamide
CID 8779118
N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide
CID 114298284
3-propan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960500
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 3161440
N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride
CID 119439604
N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 8779150

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide (CID 131905021) is N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide is Cc1nccn1Cc1ccccc1NC(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide?
The InChIKey is JPUGBNRNXDSHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(2)26-19-9-6-8-17(13-19)21(25)23-20-10-5-4-7-18(20)14-24-12-11-22-16(24)3/h4-13,15H,14H2,1-3H3,(H,23,25).
What are the key properties of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide?
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide has a molecular weight of 349.43 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 131905021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).