2-[1-[(3-chloro-4-pyridinyl)methyl]imidazol-4-yl]ethanamine

C11H13ClN4 — CID 79982812

IUPAC2-[1-[(3-chloro-4-pyridinyl)methyl]imidazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2ccncc2Cl)cn1
InChIInChI=1S/C11H13ClN4/c12-11-5-14-4-2-9(11)6-16-7-10(1-3-13)15-8-16/h2,4-5,7-8H,1,3,6,13H2
InChIKeyUXNFEFCWALEGIU-UHFFFAOYSA-N
MW236.71 g/mol
LogP1.48
Rot. Bonds4

About 2-[1-[(3-chloro-4-pyridinyl)methyl]imidazol-4-yl]ethanamine

2-[1-[(3-chloro-4-pyridinyl)methyl]imidazol-4-yl]ethanamine (PubChem CID 79982812) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 2-[1-[(3-chloro-4-pyridinyl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3-chloro-4-pyridinyl)methyl]imidazol-4-yl]ethanamine
PubChem CID79982812
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name2-[1-[(3-chloro-4-pyridinyl)methyl]imidazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2ccncc2Cl)cn1
InChIInChI=1S/C11H13ClN4/c12-11-5-14-4-2-9(11)6-16-7-10(1-3-13)15-8-16/h2,4-5,7-8H,1,3,6,13H2
InChIKeyUXNFEFCWALEGIU-UHFFFAOYSA-N
XLogP1.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chloro-4-pyridinyl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(3-chloro-4-pyridinyl)methyl]imidazol-4-yl]ethanamine (CID 79982812) is 2-[1-[(3-chloro-4-pyridinyl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3-chloro-4-pyridinyl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(3-chloro-4-pyridinyl)methyl]imidazol-4-yl]ethanamine is NCCc1cn(Cc2ccncc2Cl)cn1.
What is the InChIKey of 2-[1-[(3-chloro-4-pyridinyl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is UXNFEFCWALEGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c12-11-5-14-4-2-9(11)6-16-7-10(1-3-13)15-8-16/h2,4-5,7-8H,1,3,6,13H2.
What are the key properties of 2-[1-[(3-chloro-4-pyridinyl)methyl]imidazol-4-yl]ethanamine?
2-[1-[(3-chloro-4-pyridinyl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 236.71 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chloro-4-pyridinyl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 79982812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).