N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine

C14H18Cl2N4 — CID 79780571

IUPACN-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N4/c1-3-6-20-7-5-18-14(20)13(17-4-2)12-11(16)8-10(15)9-19-12/h5,7-9,13,17H,3-4,6H2,1-2H3
InChIKeyQQTBWGHBSJZSCL-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.69
Rot. Bonds6

About N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine

N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine (PubChem CID 79780571) has the molecular formula C14H18Cl2N4 and a molecular weight of 313.23 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine
PubChem CID79780571
Molecular FormulaC14H18Cl2N4
Molecular Weight313.23 g/mol
Exact Mass312.09
IUPAC NameN-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N4/c1-3-6-20-7-5-18-14(20)13(17-4-2)12-11(16)8-10(15)9-19-12/h5,7-9,13,17H,3-4,6H2,1-2H3
InChIKeyQQTBWGHBSJZSCL-UHFFFAOYSA-N
XLogP3.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 79781127
N-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 54980096
N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61319386
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79780317
N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61318759
N-[(5-methylpyrazin-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 105148936
[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105193319
N-[(1,3-diethylpyrazol-5-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 105148852
N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61317740
N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine
CID 79780969
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methyl]ethanamine
CID 114657958
1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79780970

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine (CID 79780571) is N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine is CCCn1ccnc1C(NCC)c1ncc(Cl)cc1Cl.
What is the InChIKey of N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine?
The InChIKey is QQTBWGHBSJZSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4/c1-3-6-20-7-5-18-14(20)13(17-4-2)12-11(16)8-10(15)9-19-12/h5,7-9,13,17H,3-4,6H2,1-2H3.
What are the key properties of N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine?
N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine has a molecular weight of 313.23 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 79780571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).