(1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine

C20H24N4 — CID 97230542

IUPAC(1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine
SMILESCC(C)C[C@@H](NCc1ccccc1-n1ccnc1)c1ccccn1
InChIInChI=1S/C20H24N4/c1-16(2)13-19(18-8-5-6-10-22-18)23-14-17-7-3-4-9-20(17)24-12-11-21-15-24/h3-12,15-16,19,23H,13-14H2,1-2H3/t19-/m1/s1
InChIKeyABQJKDKIRNUCKK-LJQANCHMSA-N
MW320.44 g/mol
LogP4.14
Rot. Bonds7

About (1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine

(1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine (PubChem CID 97230542) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is (1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine.

Molecular Properties

Compound Name(1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine
PubChem CID97230542
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name(1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine
SMILESCC(C)C[C@@H](NCc1ccccc1-n1ccnc1)c1ccccn1
InChIInChI=1S/C20H24N4/c1-16(2)13-19(18-8-5-6-10-22-18)23-14-17-7-3-4-9-20(17)24-12-11-21-15-24/h3-12,15-16,19,23H,13-14H2,1-2H3/t19-/m1/s1
InChIKeyABQJKDKIRNUCKK-LJQANCHMSA-N
XLogP4.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine 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

N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071920
(2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol
CID 103906509
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 62293447
(1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 78979013
N-[(2-imidazol-1-ylphenyl)methyl]-1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine
CID 136561404
N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine
CID 129369503
(1S)-3-methyl-1-pyridin-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 97229522
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 111505245
1-[2-(2,2-dimethylpropyl)phenyl]imidazole
CID 169321927
1-(2-imidazol-1-ylphenyl)-N,N-dimethylmethanamine
CID 175241925
1-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111942606
1-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193923

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine?
The IUPAC name of (1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine (CID 97230542) is (1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine.
What is the SMILES notation for (1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine?
The canonical SMILES for (1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine is CC(C)C[C@@H](NCc1ccccc1-n1ccnc1)c1ccccn1.
What is the InChIKey of (1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine?
The InChIKey is ABQJKDKIRNUCKK-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N4/c1-16(2)13-19(18-8-5-6-10-22-18)23-14-17-7-3-4-9-20(17)24-12-11-21-15-24/h3-12,15-16,19,23H,13-14H2,1-2H3/t19-/m1/s1.
What are the key properties of (1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine?
(1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine has a molecular weight of 320.44 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine is sourced from PubChem (CID 97230542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).