4-chloro-2-(2-methylimidazol-1-yl)benzamide

C11H10ClN3O — CID 63811813

IUPAC4-chloro-2-(2-methylimidazol-1-yl)benzamide
SMILESCc1nccn1-c1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C11H10ClN3O/c1-7-14-4-5-15(7)10-6-8(12)2-3-9(10)11(13)16/h2-6H,1H3,(H2,13,16)
InChIKeyCUSKUIZHUGYPKY-UHFFFAOYSA-N
MW235.67 g/mol
LogP1.93
Rot. Bonds2

About 4-chloro-2-(2-methylimidazol-1-yl)benzamide

4-chloro-2-(2-methylimidazol-1-yl)benzamide (PubChem CID 63811813) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-chloro-2-(2-methylimidazol-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-(2-methylimidazol-1-yl)benzamide
PubChem CID63811813
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-chloro-2-(2-methylimidazol-1-yl)benzamide
SMILESCc1nccn1-c1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C11H10ClN3O/c1-7-14-4-5-15(7)10-6-8(12)2-3-9(10)11(13)16/h2-6H,1H3,(H2,13,16)
InChIKeyCUSKUIZHUGYPKY-UHFFFAOYSA-N
XLogP1.93
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylimidazol-1-yl)benzamide?
The IUPAC name of 4-chloro-2-(2-methylimidazol-1-yl)benzamide (CID 63811813) is 4-chloro-2-(2-methylimidazol-1-yl)benzamide.
What is the SMILES notation for 4-chloro-2-(2-methylimidazol-1-yl)benzamide?
The canonical SMILES for 4-chloro-2-(2-methylimidazol-1-yl)benzamide is Cc1nccn1-c1cc(Cl)ccc1C(N)=O.
What is the InChIKey of 4-chloro-2-(2-methylimidazol-1-yl)benzamide?
The InChIKey is CUSKUIZHUGYPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-7-14-4-5-15(7)10-6-8(12)2-3-9(10)11(13)16/h2-6H,1H3,(H2,13,16).
What are the key properties of 4-chloro-2-(2-methylimidazol-1-yl)benzamide?
4-chloro-2-(2-methylimidazol-1-yl)benzamide has a molecular weight of 235.67 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylimidazol-1-yl)benzamide is sourced from PubChem (CID 63811813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).