1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine

C15H21ClN4 — CID 103444761

IUPAC1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1nccn1C)c1ncccc1Cl
InChIInChI=1S/C15H21ClN4/c1-3-8-17-13(15-12(16)5-4-9-19-15)6-7-14-18-10-11-20(14)2/h4-5,9-11,13,17H,3,6-8H2,1-2H3
InChIKeyURFLGDQMBYHCIQ-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.14
Rot. Bonds7

About 1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine

1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine (PubChem CID 103444761) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
PubChem CID103444761
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1nccn1C)c1ncccc1Cl
InChIInChI=1S/C15H21ClN4/c1-3-8-17-13(15-12(16)5-4-9-19-15)6-7-14-18-10-11-20(14)2/h4-5,9-11,13,17H,3,6-8H2,1-2H3
InChIKeyURFLGDQMBYHCIQ-UHFFFAOYSA-N
XLogP3.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103444443
1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
CID 103444817
N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 103444803
1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530643
1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 103444845
3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine
CID 114530679
4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine
CID 79761932
N-[1-(3-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107051471
1-(4-bromo-3-methylphenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105049733
1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530197
1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105049859
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105187793

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine (CID 103444761) is 1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine is CCCNC(CCc1nccn1C)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The InChIKey is URFLGDQMBYHCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-3-8-17-13(15-12(16)5-4-9-19-15)6-7-14-18-10-11-20(14)2/h4-5,9-11,13,17H,3,6-8H2,1-2H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine has a molecular weight of 292.81 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103444761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).