1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid

C21H23N3O4 — CID 163327528

IUPAC1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
SMILESCc1ccc(CNc2ncc(-c3ccc(C)cc3)n2C)cc1.O=C(O)C(=O)O
InChIInChI=1S/C19H21N3.C2H2O4/c1-14-4-8-16(9-5-14)12-20-19-21-13-18(22(19)3)17-10-6-15(2)7-11-17;3-1(4)2(5)6/h4-11,13H,12H2,1-3H3,(H,20,21);(H,3,4)(H,5,6)
InChIKeyQFJOOUKDVUREEB-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.47
Rot. Bonds4

About 1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid

1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid (PubChem CID 163327528) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid.

Molecular Properties

Compound Name1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
PubChem CID163327528
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
SMILESCc1ccc(CNc2ncc(-c3ccc(C)cc3)n2C)cc1.O=C(O)C(=O)O
InChIInChI=1S/C19H21N3.C2H2O4/c1-14-4-8-16(9-5-14)12-20-19-21-13-18(22(19)3)17-10-6-15(2)7-11-17;3-1(4)2(5)6/h4-11,13H,12H2,1-3H3,(H,20,21);(H,3,4)(H,5,6)
InChIKeyQFJOOUKDVUREEB-UHFFFAOYSA-N
XLogP3.47
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163326916
N-[(3-bromophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine;oxalic acid
CID 163327530
5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 646935
5-(3-methoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 126460185
5-(3,4-dimethylphenyl)-N-[(4-ethylphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
CID 163326874
1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine;oxalic acid
CID 126460493
4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile
CID 51362157
4-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]benzonitrile;oxalic acid
CID 163327425
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
CID 1096489
5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine
CID 3893027
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid
CID 163327719
5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid
CID 163327483

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid?
The IUPAC name of 1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid (CID 163327528) is 1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid.
What is the SMILES notation for 1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid?
The canonical SMILES for 1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid is Cc1ccc(CNc2ncc(-c3ccc(C)cc3)n2C)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid?
The InChIKey is QFJOOUKDVUREEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3.C2H2O4/c1-14-4-8-16(9-5-14)12-20-19-21-13-18(22(19)3)17-10-6-15(2)7-11-17;3-1(4)2(5)6/h4-11,13H,12H2,1-3H3,(H,20,21);(H,3,4)(H,5,6).
What are the key properties of 1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid?
1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid has a molecular weight of 381.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid is sourced from PubChem (CID 163327528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).