N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine

C16H22ClN3 — CID 61318759

IUPACN-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)c1nccn1CCC
InChIInChI=1S/C16H22ClN3/c1-3-9-18-15(13-5-7-14(17)8-6-13)16-19-10-12-20(16)11-4-2/h5-8,10,12,15,18H,3-4,9,11H2,1-2H3
InChIKeyRXYGWVFTMGXRLK-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.04
Rot. Bonds7

About N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine

N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 61318759) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
PubChem CID61318759
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC NameN-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)c1nccn1CCC
InChIInChI=1S/C16H22ClN3/c1-3-9-18-15(13-5-7-14(17)8-6-13)16-19-10-12-20(16)11-4-2/h5-8,10,12,15,18H,3-4,9,11H2,1-2H3
InChIKeyRXYGWVFTMGXRLK-UHFFFAOYSA-N
XLogP4.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 107992682
N-[(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 103215312
[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105193319
N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61319386
N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317745
N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317545
1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 61316350
N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 61318763
N-[(3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 107945889
N-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 81289391
N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316520
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine (CID 61318759) is N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)cc1)c1nccn1CCC.
What is the InChIKey of N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is RXYGWVFTMGXRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-3-9-18-15(13-5-7-14(17)8-6-13)16-19-10-12-20(16)11-4-2/h5-8,10,12,15,18H,3-4,9,11H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 291.83 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 N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 61318759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).