1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine

C23H20N4O2 — CID 3556479

IUPAC1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine
SMILESCn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c1-26-22(20-8-5-9-21(14-20)27(28)29)16-25-23(26)24-15-17-10-12-19(13-11-17)18-6-3-2-4-7-18/h2-14,16H,15H2,1H3,(H,24,25)
InChIKeyJAENWLMCWLAMPN-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.27
Rot. Bonds6

About 1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine

1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine (PubChem CID 3556479) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine
PubChem CID3556479
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine
SMILESCn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c1-26-22(20-8-5-9-21(14-20)27(28)29)16-25-23(26)24-15-17-10-12-19(13-11-17)18-6-3-2-4-7-18/h2-14,16H,15H2,1H3,(H,24,25)
InChIKeyJAENWLMCWLAMPN-UHFFFAOYSA-N
XLogP5.27
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine;oxalic acid
CID 163327459
1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine
CID 1096481
2-[[[1-methyl-5-(3-nitrophenyl)imidazol-2-yl]amino]methyl]phenol
CID 4308906
N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine
CID 3432279
N-[(2-chlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine
CID 4214061
2,6-ditert-butyl-4-[[[1-methyl-5-(3-nitrophenyl)imidazol-2-yl]amino]methyl]phenol
CID 5180822
5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine
CID 4298645
1-methyl-5-(4-phenylphenyl)-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
CID 3928516
5-(3-methoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 126460185
4-[[[5-(3-bromophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol
CID 35264066
1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163327528
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid
CID 163327719

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine?
The IUPAC name of 1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine (CID 3556479) is 1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine?
The canonical SMILES for 1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine is Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine?
The InChIKey is JAENWLMCWLAMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-26-22(20-8-5-9-21(14-20)27(28)29)16-25-23(26)24-15-17-10-12-19(13-11-17)18-6-3-2-4-7-18/h2-14,16H,15H2,1H3,(H,24,25).
What are the key properties of 1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine?
1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine has a molecular weight of 384.44 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 3556479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).