[1-[(5-chloro-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanone

C16H12ClN3O — CID 99802791

IUPAC[1-[(5-chloro-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nccn1Cc1ccc(Cl)cn1
InChIInChI=1S/C16H12ClN3O/c17-13-6-7-14(19-10-13)11-20-9-8-18-16(20)15(21)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyBFOTZNKKKAZVSE-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.21
Rot. Bonds4

About [1-[(5-chloro-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanone

[1-[(5-chloro-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanone (PubChem CID 99802791) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is [1-[(5-chloro-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[(5-chloro-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanone
PubChem CID99802791
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name[1-[(5-chloro-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nccn1Cc1ccc(Cl)cn1
InChIInChI=1S/C16H12ClN3O/c17-13-6-7-14(19-10-13)11-20-9-8-18-16(20)15(21)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyBFOTZNKKKAZVSE-UHFFFAOYSA-N
XLogP3.21
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanone?
The IUPAC name of [1-[(5-chloro-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanone (CID 99802791) is [1-[(5-chloro-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanone.
What is the SMILES notation for [1-[(5-chloro-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanone?
The canonical SMILES for [1-[(5-chloro-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanone is O=C(c1ccccc1)c1nccn1Cc1ccc(Cl)cn1.
What is the InChIKey of [1-[(5-chloro-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanone?
The InChIKey is BFOTZNKKKAZVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-13-6-7-14(19-10-13)11-20-9-8-18-16(20)15(21)12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of [1-[(5-chloro-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanone?
[1-[(5-chloro-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanone has a molecular weight of 297.75 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanone is sourced from PubChem (CID 99802791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).