N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine

C20H23N3 — CID 78871095

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine
SMILESCC(C)(CNCc1ccc(-n2ccnc2)cc1)c1ccccc1
InChIInChI=1S/C20H23N3/c1-20(2,18-6-4-3-5-7-18)15-22-14-17-8-10-19(11-9-17)23-13-12-21-16-23/h3-13,16,22H,14-15H2,1-2H3
InChIKeyUWGAXQHWTNFRBV-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.94
Rot. Bonds6

About N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine

N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine (PubChem CID 78871095) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine
PubChem CID78871095
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine
SMILESCC(C)(CNCc1ccc(-n2ccnc2)cc1)c1ccccc1
InChIInChI=1S/C20H23N3/c1-20(2,18-6-4-3-5-7-18)15-22-14-17-8-10-19(11-9-17)23-13-12-21-16-23/h3-13,16,22H,14-15H2,1-2H3
InChIKeyUWGAXQHWTNFRBV-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol
CID 111104787
N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine
CID 115523845
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295
N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
CID 78911236
3-[(4-imidazol-1-ylphenyl)methylamino]propanoic acid
CID 43466403
1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol
CID 111468204
1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913038
N-[(4-imidazol-1-ylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632439

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine (CID 78871095) is N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine is CC(C)(CNCc1ccc(-n2ccnc2)cc1)c1ccccc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine?
The InChIKey is UWGAXQHWTNFRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-20(2,18-6-4-3-5-7-18)15-22-14-17-8-10-19(11-9-17)23-13-12-21-16-23/h3-13,16,22H,14-15H2,1-2H3.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine?
N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine has a molecular weight of 305.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 78871095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).