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

C16H21Cl2N3 — CID 61319386

IUPACN-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1Cl)c1nccn1CCC
InChIInChI=1S/C16H21Cl2N3/c1-3-7-19-15(13-6-5-12(17)11-14(13)18)16-20-8-10-21(16)9-4-2/h5-6,8,10-11,15,19H,3-4,7,9H2,1-2H3
InChIKeyKAENNQZXWOJPSR-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.69
Rot. Bonds7

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

N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 61319386) has the molecular formula C16H21Cl2N3 and a molecular weight of 326.27 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
PubChem CID61319386
Molecular FormulaC16H21Cl2N3
Molecular Weight326.27 g/mol
Exact Mass325.11
IUPAC NameN-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1Cl)c1nccn1CCC
InChIInChI=1S/C16H21Cl2N3/c1-3-7-19-15(13-6-5-12(17)11-14(13)18)16-20-8-10-21(16)9-4-2/h5-6,8,10-11,15,19H,3-4,7,9H2,1-2H3
InChIKeyKAENNQZXWOJPSR-UHFFFAOYSA-N
XLogP4.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61318759
N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 54980096
N-[(4-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 107992682
N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317545
N-[(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 103215312
N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79780571
N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317745
N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 82772140
N-[(2,5-dibromothiophen-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 107965332
N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 106861045
[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105193319
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 79781127

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine (CID 61319386) is N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)cc1Cl)c1nccn1CCC.
What is the InChIKey of N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is KAENNQZXWOJPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3/c1-3-7-19-15(13-6-5-12(17)11-14(13)18)16-20-8-10-21(16)9-4-2/h5-6,8,10-11,15,19H,3-4,7,9H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 326.27 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 61319386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).