5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole

C24H19N3 — CID 54110123

IUPAC5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole
SMILES[C-]#[N+]c1ccc(Cc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H19N3/c1-25-23-13-9-19(10-14-23)15-24-16-26-18-27(24)17-20-7-11-22(12-8-20)21-5-3-2-4-6-21/h2-14,16,18H,15,17H2
InChIKeyNGMORLDVPVLPKK-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.74
Rot. Bonds5

About 5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole

5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole (PubChem CID 54110123) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole.

Molecular Properties

Compound Name5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole
PubChem CID54110123
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole
SMILES[C-]#[N+]c1ccc(Cc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H19N3/c1-25-23-13-9-19(10-14-23)15-24-16-26-18-27(24)17-20-7-11-22(12-8-20)21-5-3-2-4-6-21/h2-14,16,18H,15,17H2
InChIKeyNGMORLDVPVLPKK-UHFFFAOYSA-N
XLogP5.74
TPSA22.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole 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

5-(4-isocyanophenoxy)-1-[(4-phenylphenyl)methyl]imidazole
CID 23591977
5-bromo-1-[5-[[5-[(4-isocyanophenyl)methyl]imidazol-1-yl]methyl]-2-pyridinyl]pyridin-2-one
CID 54370186
4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride
CID 70342547
4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
CID 22254300
2-(3-benzylimidazol-4-yl)ethanamine
CID 19417806
1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-phenylpyridin-2-one
CID 142636155
1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine
CID 154747305
1-benzyl-5-butylimidazole
CID 10059100
4-[[3-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride
CID 70297083
4-[[5-[(4-phenyl-1,3-thiazol-2-yl)methyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
CID 70342191
2-[4-[(5-butylimidazol-1-yl)methyl]phenyl]benzoic acid
CID 10449557
5-benzyl-1-(3,3-dimethylbutyl)imidazole
CID 59892115

Frequently Asked Questions

What is the IUPAC name of 5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole?
The IUPAC name of 5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole (CID 54110123) is 5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole.
What is the SMILES notation for 5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole?
The canonical SMILES for 5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole is [C-]#[N+]c1ccc(Cc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole?
The InChIKey is NGMORLDVPVLPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-25-23-13-9-19(10-14-23)15-24-16-26-18-27(24)17-20-7-11-22(12-8-20)21-5-3-2-4-6-21/h2-14,16,18H,15,17H2.
What are the key properties of 5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole?
5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole has a molecular weight of 349.44 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole is sourced from PubChem (CID 54110123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).