3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane

C20H26N3OP — CID 176560130

IUPAC3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane
SMILESCOPC.Cc1cccc(C(c2cccc(N)c2)c2cnc[nH]2)c1C
InChIInChI=1S/C18H19N3.C2H7OP/c1-12-5-3-8-16(13(12)2)18(17-10-20-11-21-17)14-6-4-7-15(19)9-14;1-3-4-2/h3-11,18H,19H2,1-2H3,(H,20,21);4H,1-2H3
InChIKeyWXXOXCSCQASKNB-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.65
Rot. Bonds4

About 3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane

3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane (PubChem CID 176560130) has the molecular formula C20H26N3OP and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane.

Molecular Properties

Compound Name3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane
PubChem CID176560130
Molecular FormulaC20H26N3OP
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane
SMILESCOPC.Cc1cccc(C(c2cccc(N)c2)c2cnc[nH]2)c1C
InChIInChI=1S/C18H19N3.C2H7OP/c1-12-5-3-8-16(13(12)2)18(17-10-20-11-21-17)14-6-4-7-15(19)9-14;1-3-4-2/h3-11,18H,19H2,1-2H3,(H,20,21);4H,1-2H3
InChIKeyWXXOXCSCQASKNB-UHFFFAOYSA-N
XLogP4.65
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea
CID 172505495
5-[(1S)-1,2,2,2-tetradeuterio-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
CID 169437868
[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 172505823
5-[bis(2-methylphenyl)methyl]-1H-imidazole
CID 13071795
N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]adamantane-2-carboxamide
CID 172505517
N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-1-(oxan-2-yl)methanesulfonamide
CID 172505832
3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide
CID 172505628
4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine
CID 25121395
N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide
CID 176560035
3-[[3-[3-[[2-hydroxy-3-(methoxycarbamoyl)phenyl]-(1H-imidazol-5-yl)methyl]-2-methylphenyl]-2-methylphenyl]-(1H-imidazol-5-yl)methyl]benzoic acid
CID 176560019
5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;formic acid
CID 155150082
2-[2-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethoxy]ethoxy]ethanamine
CID 172505839

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane?
The IUPAC name of 3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane (CID 176560130) is 3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane.
What is the SMILES notation for 3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane?
The canonical SMILES for 3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane is COPC.Cc1cccc(C(c2cccc(N)c2)c2cnc[nH]2)c1C.
What is the InChIKey of 3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane?
The InChIKey is WXXOXCSCQASKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3.C2H7OP/c1-12-5-3-8-16(13(12)2)18(17-10-20-11-21-17)14-6-4-7-15(19)9-14;1-3-4-2/h3-11,18H,19H2,1-2H3,(H,20,21);4H,1-2H3.
What are the key properties of 3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane?
3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane has a molecular weight of 355.42 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane is sourced from PubChem (CID 176560130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).