N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine

C17H24ClN3 — CID 79739256

IUPACN-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)ccc1Cc1nccn1CCC
InChIInChI=1S/C17H24ClN3/c1-3-7-19-13-15-11-16(18)6-5-14(15)12-17-20-8-10-21(17)9-4-2/h5-6,8,10-11,19H,3-4,7,9,12-13H2,1-2H3
InChIKeyZSIJRQUZXIOKAT-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.04
Rot. Bonds8

About N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine

N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine (PubChem CID 79739256) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
PubChem CID79739256
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)ccc1Cc1nccn1CCC
InChIInChI=1S/C17H24ClN3/c1-3-7-19-13-15-11-16(18)6-5-14(15)12-17-20-8-10-21(17)9-4-2/h5-6,8,10-11,19H,3-4,7,9,12-13H2,1-2H3
InChIKeyZSIJRQUZXIOKAT-UHFFFAOYSA-N
XLogP4.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
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

N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine
CID 63975615
N-[[1-[(5-chloro-2-nitrophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 79556012
3-fluoro-4-[(1-propylimidazol-2-yl)methyl]aniline
CID 79737831
N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 66159923
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438
(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81353111
N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79737937
N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 42818937
1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012439
N-[[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 103038794
N-[[5-chloro-2-(1-methylpyrazol-3-yl)phenyl]methyl]propan-1-amine
CID 103131639

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine (CID 79739256) is N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine is CCCNCc1cc(Cl)ccc1Cc1nccn1CCC.
What is the InChIKey of N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is ZSIJRQUZXIOKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-3-7-19-13-15-11-16(18)6-5-14(15)12-17-20-8-10-21(17)9-4-2/h5-6,8,10-11,19H,3-4,7,9,12-13H2,1-2H3.
What are the key properties of N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine?
N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 305.85 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 79739256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).