imidazol-1-yl-(2-methyl-3-pyridinyl)methanone

C10H9N3O — CID 66563654

IUPACimidazol-1-yl-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)n1ccnc1
InChIInChI=1S/C10H9N3O/c1-8-9(3-2-4-12-8)10(14)13-6-5-11-7-13/h2-7H,1H3
InChIKeyOWQPEDNXDCVXJO-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.28
Rot. Bonds1

About imidazol-1-yl-(2-methyl-3-pyridinyl)methanone

imidazol-1-yl-(2-methyl-3-pyridinyl)methanone (PubChem CID 66563654) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is imidazol-1-yl-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Nameimidazol-1-yl-(2-methyl-3-pyridinyl)methanone
PubChem CID66563654
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Nameimidazol-1-yl-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)n1ccnc1
InChIInChI=1S/C10H9N3O/c1-8-9(3-2-4-12-8)10(14)13-6-5-11-7-13/h2-7H,1H3
InChIKeyOWQPEDNXDCVXJO-UHFFFAOYSA-N
XLogP1.28
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of imidazol-1-yl-(2-methyl-3-pyridinyl)methanone (CID 66563654) is imidazol-1-yl-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for imidazol-1-yl-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for imidazol-1-yl-(2-methyl-3-pyridinyl)methanone is Cc1ncccc1C(=O)n1ccnc1.
What is the InChIKey of imidazol-1-yl-(2-methyl-3-pyridinyl)methanone?
The InChIKey is OWQPEDNXDCVXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-8-9(3-2-4-12-8)10(14)13-6-5-11-7-13/h2-7H,1H3.
What are the key properties of imidazol-1-yl-(2-methyl-3-pyridinyl)methanone?
imidazol-1-yl-(2-methyl-3-pyridinyl)methanone has a molecular weight of 187.20 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 66563654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).