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

C18H18N4O2 — CID 1096481

IUPAC1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine
SMILESCc1cccc(CNc2ncc(-c3cccc([N+](=O)[O-])c3)n2C)c1
InChIInChI=1S/C18H18N4O2/c1-13-5-3-6-14(9-13)11-19-18-20-12-17(21(18)2)15-7-4-8-16(10-15)22(23)24/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyFWFIVDUACMHOAO-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.92
Rot. Bonds5

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

1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine (PubChem CID 1096481) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine
PubChem CID1096481
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine
SMILESCc1cccc(CNc2ncc(-c3cccc([N+](=O)[O-])c3)n2C)c1
InChIInChI=1S/C18H18N4O2/c1-13-5-3-6-14(9-13)11-19-18-20-12-17(21(18)2)15-7-4-8-16(10-15)22(23)24/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyFWFIVDUACMHOAO-UHFFFAOYSA-N
XLogP3.92
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.92
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'}

Analyze 1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine 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

1-methyl-5-(3-nitrophenyl)-N-[(4-phenylphenyl)methyl]imidazol-2-amine
CID 3556479
5-(4-chlorophenyl)-1-methyl-N-[(3-nitrophenyl)methyl]imidazol-2-amine
CID 4298645
N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine
CID 3432279
2-[[[1-methyl-5-(3-nitrophenyl)imidazol-2-yl]amino]methyl]phenol
CID 4308906
2,6-ditert-butyl-4-[[[1-methyl-5-(3-nitrophenyl)imidazol-2-yl]amino]methyl]phenol
CID 5180822
N-[(4-bromophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine;oxalic acid
CID 163327459
N-[(2-chlorophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine
CID 4214061
N-[(3-bromophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine;oxalic acid
CID 163327530
N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-3-nitrobenzamide
CID 3561615
5-(3-methoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 126460185
5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163327777
N-[(3-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-1-methylimidazol-2-amine;oxalic acid
CID 163326888

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine?
The IUPAC name of 1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine (CID 1096481) is 1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine?
The canonical SMILES for 1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine is Cc1cccc(CNc2ncc(-c3cccc([N+](=O)[O-])c3)n2C)c1.
What is the InChIKey of 1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine?
The InChIKey is FWFIVDUACMHOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-5-3-6-14(9-13)11-19-18-20-12-17(21(18)2)15-7-4-8-16(10-15)22(23)24/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of 1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine?
1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine has a molecular weight of 322.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-methylphenyl)methyl]-5-(3-nitrophenyl)imidazol-2-amine is sourced from PubChem (CID 1096481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).