(1S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)-1-phenylmethanamine

C24H23N3 — CID 9113084

IUPAC(1S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)-1-phenylmethanamine
SMILESCc1ccc([C@@H](NCc2ccc(-n3ccnc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H23N3/c1-19-7-11-22(12-8-19)24(21-5-3-2-4-6-21)26-17-20-9-13-23(14-10-20)27-16-15-25-18-27/h2-16,18,24,26H,17H2,1H3/t24-/m0/s1
InChIKeyCNKKUALOXYRRLC-DEOSSOPVSA-N
MW353.47 g/mol
LogP5.06
Rot. Bonds6

About (1S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)-1-phenylmethanamine

(1S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)-1-phenylmethanamine (PubChem CID 9113084) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is (1S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)-1-phenylmethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)-1-phenylmethanamine
PubChem CID9113084
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name(1S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)-1-phenylmethanamine
SMILESCc1ccc([C@@H](NCc2ccc(-n3ccnc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H23N3/c1-19-7-11-22(12-8-19)24(21-5-3-2-4-6-21)26-17-20-9-13-23(14-10-20)27-16-15-25-18-27/h2-16,18,24,26H,17H2,1H3/t24-/m0/s1
InChIKeyCNKKUALOXYRRLC-DEOSSOPVSA-N
XLogP5.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.06
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]-4-methylpentan-2-amine
CID 43775713
1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole
CID 14594096
N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222075
1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620
(1R)-1-(4-imidazol-1-ylphenyl)-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]ethanamine
CID 95973395
N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46772928
N-[(4-imidazol-1-ylphenyl)methyl]hexan-2-amine
CID 62200953
(2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95293122
N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
CID 75428099
1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol
CID 111104787
3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline
CID 43229429

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)-1-phenylmethanamine?
The IUPAC name of (1S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)-1-phenylmethanamine (CID 9113084) is (1S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)-1-phenylmethanamine.
What is the SMILES notation for (1S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)-1-phenylmethanamine?
The canonical SMILES for (1S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)-1-phenylmethanamine is Cc1ccc([C@@H](NCc2ccc(-n3ccnc3)cc2)c2ccccc2)cc1.
What is the InChIKey of (1S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)-1-phenylmethanamine?
The InChIKey is CNKKUALOXYRRLC-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23N3/c1-19-7-11-22(12-8-19)24(21-5-3-2-4-6-21)26-17-20-9-13-23(14-10-20)27-16-15-25-18-27/h2-16,18,24,26H,17H2,1H3/t24-/m0/s1.
What are the key properties of (1S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)-1-phenylmethanamine?
(1S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)-1-phenylmethanamine has a molecular weight of 353.47 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)-1-phenylmethanamine is sourced from PubChem (CID 9113084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).