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

C21H19N5O — CID 131899424

IUPACN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide
SMILESCc1nccn1Cc1ccccc1NC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H19N5O/c1-16-22-12-14-25(16)15-18-5-2-3-6-20(18)24-21(27)17-7-9-19(10-8-17)26-13-4-11-23-26/h2-14H,15H2,1H3,(H,24,27)
InChIKeyRFNUFXVXDNCVPY-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.68
Rot. Bonds5

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

N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide (PubChem CID 131899424) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide
PubChem CID131899424
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide
SMILESCc1nccn1Cc1ccccc1NC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H19N5O/c1-16-22-12-14-25(16)15-18-5-2-3-6-20(18)24-21(27)17-7-9-19(10-8-17)26-13-4-11-23-26/h2-14H,15H2,1H3,(H,24,27)
InChIKeyRFNUFXVXDNCVPY-UHFFFAOYSA-N
XLogP3.68
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-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

N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide
CID 2992386
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 131932897
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131940335
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide
CID 131905021
N-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]benzamide
CID 43020845
2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 154912858
2-[(4-pyrazol-1-ylbenzoyl)amino]benzamide
CID 78812019
(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide
CID 131930636
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131908904
N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide
CID 93492375
(2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide
CID 131908048

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide (CID 131899424) is N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide is Cc1nccn1Cc1ccccc1NC(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is RFNUFXVXDNCVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-16-22-12-14-25(16)15-18-5-2-3-6-20(18)24-21(27)17-7-9-19(10-8-17)26-13-4-11-23-26/h2-14H,15H2,1H3,(H,24,27).
What are the key properties of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide?
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 357.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 131899424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).