1-[(4-chloro-2-pyridinyl)methyl]-3-methylimidazol-2-one

C10H10ClN3O — CID 80581931

IUPAC1-[(4-chloro-2-pyridinyl)methyl]-3-methylimidazol-2-one
SMILESCn1ccn(Cc2cc(Cl)ccn2)c1=O
InChIInChI=1S/C10H10ClN3O/c1-13-4-5-14(10(13)15)7-9-6-8(11)2-3-12-9/h2-6H,7H2,1H3
InChIKeyGWKXUIDQGYQYKT-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.28
Rot. Bonds2

About 1-[(4-chloro-2-pyridinyl)methyl]-3-methylimidazol-2-one

1-[(4-chloro-2-pyridinyl)methyl]-3-methylimidazol-2-one (PubChem CID 80581931) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-[(4-chloro-2-pyridinyl)methyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[(4-chloro-2-pyridinyl)methyl]-3-methylimidazol-2-one
PubChem CID80581931
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name1-[(4-chloro-2-pyridinyl)methyl]-3-methylimidazol-2-one
SMILESCn1ccn(Cc2cc(Cl)ccn2)c1=O
InChIInChI=1S/C10H10ClN3O/c1-13-4-5-14(10(13)15)7-9-6-8(11)2-3-12-9/h2-6H,7H2,1H3
InChIKeyGWKXUIDQGYQYKT-UHFFFAOYSA-N
XLogP1.28
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]-3-methylimidazol-2-one (CID 80581931) is 1-[(4-chloro-2-pyridinyl)methyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[(4-chloro-2-pyridinyl)methyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[(4-chloro-2-pyridinyl)methyl]-3-methylimidazol-2-one is Cn1ccn(Cc2cc(Cl)ccn2)c1=O.
What is the InChIKey of 1-[(4-chloro-2-pyridinyl)methyl]-3-methylimidazol-2-one?
The InChIKey is GWKXUIDQGYQYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-13-4-5-14(10(13)15)7-9-6-8(11)2-3-12-9/h2-6H,7H2,1H3.
What are the key properties of 1-[(4-chloro-2-pyridinyl)methyl]-3-methylimidazol-2-one?
1-[(4-chloro-2-pyridinyl)methyl]-3-methylimidazol-2-one has a molecular weight of 223.66 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-pyridinyl)methyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80581931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).