N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine

C19H22N4 — CID 47052690

IUPACN-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
SMILESCc1ccc(CNCc2ccc(-n3ccnc3C)nc2)c(C)c1
InChIInChI=1S/C19H22N4/c1-14-4-6-18(15(2)10-14)13-20-11-17-5-7-19(22-12-17)23-9-8-21-16(23)3/h4-10,12,20H,11,13H2,1-3H3
InChIKeyNQZFXFPFLUDNLG-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.48
Rot. Bonds5

About N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine

N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine (PubChem CID 47052690) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
PubChem CID47052690
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
SMILESCc1ccc(CNCc2ccc(-n3ccnc3C)nc2)c(C)c1
InChIInChI=1S/C19H22N4/c1-14-4-6-18(15(2)10-14)13-20-11-17-5-7-19(22-12-17)23-9-8-21-16(23)3/h4-10,12,20H,11,13H2,1-3H3
InChIKeyNQZFXFPFLUDNLG-UHFFFAOYSA-N
XLogP3.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine 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

3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 51087807
1-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 111938401
1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine
CID 51086195
N-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 51086201
N-[(2-methoxyphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 51086203
[1-[5-[[(2,4-dimethylphenyl)methylamino]methyl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride
CID 47626066
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine
CID 119121927
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-methylphenyl)acetamide
CID 87023045
N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 52516388
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide
CID 87023050
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 56818547

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine (CID 47052690) is N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine is Cc1ccc(CNCc2ccc(-n3ccnc3C)nc2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine?
The InChIKey is NQZFXFPFLUDNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-4-6-18(15(2)10-14)13-20-11-17-5-7-19(22-12-17)23-9-8-21-16(23)3/h4-10,12,20H,11,13H2,1-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine?
N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine has a molecular weight of 306.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 47052690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).