2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol

C23H21N3O — CID 3533703

IUPAC2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol
SMILESCn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1ccccc1O
InChIInChI=1S/C23H21N3O/c1-26-21(16-25-23(26)24-15-20-9-5-6-10-22(20)27)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-14,16,27H,15H2,1H3,(H,24,25)
InChIKeySNMQYGPMRZTKGS-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.07
Rot. Bonds5

About 2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol

2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol (PubChem CID 3533703) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol
PubChem CID3533703
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol
SMILESCn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1ccccc1O
InChIInChI=1S/C23H21N3O/c1-26-21(16-25-23(26)24-15-20-9-5-6-10-22(20)27)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-14,16,27H,15H2,1H3,(H,24,25)
InChIKeySNMQYGPMRZTKGS-UHFFFAOYSA-N
XLogP5.07
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine
CID 4654948
2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid
CID 163327488
2-[[[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid
CID 163326889
N-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid
CID 163327759
2-[[[1-methyl-5-(3-nitrophenyl)imidazol-2-yl]amino]methyl]phenol
CID 4308906
N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3643106
1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine
CID 3689162
1-methyl-5-(4-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
CID 3928516
N-[(4-fluorophenyl)methyl]-1-methyl-5-phenylimidazol-2-amine
CID 1096454
1-methyl-5-phenyl-N-(pyridin-3-ylmethyl)imidazol-2-amine
CID 51361863
N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-phenylimidazol-2-amine;oxalic acid
CID 163327080
5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine
CID 3913785

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol?
The IUPAC name of 2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol (CID 3533703) is 2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol?
The canonical SMILES for 2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol is Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1ccccc1O.
What is the InChIKey of 2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol?
The InChIKey is SNMQYGPMRZTKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-26-21(16-25-23(26)24-15-20-9-5-6-10-22(20)27)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-14,16,27H,15H2,1H3,(H,24,25).
What are the key properties of 2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol?
2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol has a molecular weight of 355.44 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]amino]methyl]phenol is sourced from PubChem (CID 3533703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).