N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane

C21H24N6O — CID 158896039

IUPACN-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane
SMILESC.O=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H20N6O.CH4/c27-19(16-4-8-18(9-5-16)26-13-1-10-24-26)23-14-15-2-6-17(7-3-15)25-20-21-11-12-22-20;/h1-10,13H,11-12,14H2,(H,23,27)(H2,21,22,25);1H4
InChIKeyJEVNKORKUGUTQV-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.81
Rot. Bonds5

About N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane

N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane (PubChem CID 158896039) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane.

Molecular Properties

Compound NameN-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane
PubChem CID158896039
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane
SMILESC.O=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H20N6O.CH4/c27-19(16-4-8-18(9-5-16)26-13-1-10-24-26)23-14-15-2-6-17(7-3-15)25-20-21-11-12-22-20;/h1-10,13H,11-12,14H2,(H,23,27)(H2,21,22,25);1H4
InChIKeyJEVNKORKUGUTQV-UHFFFAOYSA-N
XLogP2.81
TPSA83.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane 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-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide
CID 22246046
4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55838098
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide
CID 22246058
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide
CID 22246022
2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide
CID 55703032
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-dicarboxamide;hydrochloride
CID 44531712
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55711340
4-pyrazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528681
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55702862
4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 40673388
N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110916115

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane?
The IUPAC name of N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane (CID 158896039) is N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane.
What is the SMILES notation for N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane?
The canonical SMILES for N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane is C.O=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane?
The InChIKey is JEVNKORKUGUTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O.CH4/c27-19(16-4-8-18(9-5-16)26-13-1-10-24-26)23-14-15-2-6-17(7-3-15)25-20-21-11-12-22-20;/h1-10,13H,11-12,14H2,(H,23,27)(H2,21,22,25);1H4.
What are the key properties of N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane?
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane has a molecular weight of 376.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane is sourced from PubChem (CID 158896039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).