3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine

C20H23N3 — CID 142817924

IUPAC3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
SMILESCc1ccc(-c2ccc(CNCCCn3ccnc3)cc2)cc1
InChIInChI=1S/C20H23N3/c1-17-3-7-19(8-4-17)20-9-5-18(6-10-20)15-21-11-2-13-23-14-12-22-16-23/h3-10,12,14,16,21H,2,11,13,15H2,1H3
InChIKeyHRJJKJNHIMDATR-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.04
Rot. Bonds7

About 3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine

3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine (PubChem CID 142817924) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
PubChem CID142817924
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
SMILESCc1ccc(-c2ccc(CNCCCn3ccnc3)cc2)cc1
InChIInChI=1S/C20H23N3/c1-17-3-7-19(8-4-17)20-9-5-18(6-10-20)15-21-11-2-13-23-14-12-22-16-23/h3-10,12,14,16,21H,2,11,13,15H2,1H3
InChIKeyHRJJKJNHIMDATR-UHFFFAOYSA-N
XLogP4.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79978907
N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 62122292
3-imidazol-1-yl-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine
CID 125115068
3-imidazol-1-yl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17156523
4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 61069052
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437
N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine;dihydrochloride
CID 19429491
3-imidazol-1-yl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17156153
3-imidazol-1-yl-N-[(4-nitrophenyl)methyl]propan-1-amine;hydrochloride
CID 17155577
N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 79979594

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine (CID 142817924) is 3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine is Cc1ccc(-c2ccc(CNCCCn3ccnc3)cc2)cc1.
What is the InChIKey of 3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is HRJJKJNHIMDATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-17-3-7-19(8-4-17)20-9-5-18(6-10-20)15-21-11-2-13-23-14-12-22-16-23/h3-10,12,14,16,21H,2,11,13,15H2,1H3.
What are the key properties of 3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine?
3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine has a molecular weight of 305.43 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 142817924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).