N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine

C17H23N3 — CID 116506348

IUPACN-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C2CCC2)cc1)c1ncc[nH]1
InChIInChI=1S/C17H23N3/c1-2-10-18-16(17-19-11-12-20-17)15-8-6-14(7-9-15)13-4-3-5-13/h6-9,11-13,16,18H,2-5,10H2,1H3,(H,19,20)
InChIKeyKCTMEUPOCZBQHE-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.77
Rot. Bonds6

About N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine

N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine (PubChem CID 116506348) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine
PubChem CID116506348
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C2CCC2)cc1)c1ncc[nH]1
InChIInChI=1S/C17H23N3/c1-2-10-18-16(17-19-11-12-20-17)15-8-6-14(7-9-15)13-4-3-5-13/h6-9,11-13,16,18H,2-5,10H2,1H3,(H,19,20)
InChIKeyKCTMEUPOCZBQHE-UHFFFAOYSA-N
XLogP3.77
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-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-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105185341
N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 116506072
N-[1-(4-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 116506358
1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116506114
1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 116506010
2-(4-cyclohexylphenyl)-2-(1H-imidazol-2-yl)acetonitrile
CID 116834549
1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116506013
N-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine
CID 102647869
N-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine
CID 82822556
N-[1H-imidazol-2-yl(phenyl)methyl]-2-methylsulfanylethanamine
CID 86804118
N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 103444478
N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923880

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine (CID 116506348) is N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C2CCC2)cc1)c1ncc[nH]1.
What is the InChIKey of N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine?
The InChIKey is KCTMEUPOCZBQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-10-18-16(17-19-11-12-20-17)15-8-6-14(7-9-15)13-4-3-5-13/h6-9,11-13,16,18H,2-5,10H2,1H3,(H,19,20).
What are the key properties of N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine?
N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 116506348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).