5-chloro-N-[4-(difluoromethyl)-1-methylimidazol-2-yl]-2-hydroxybenzamide

C12H10ClF2N3O2 — CID 59581539

IUPAC5-chloro-N-[4-(difluoromethyl)-1-methylimidazol-2-yl]-2-hydroxybenzamide
SMILESCn1cc(C(F)F)nc1NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C12H10ClF2N3O2/c1-18-5-8(10(14)15)16-12(18)17-11(20)7-4-6(13)2-3-9(7)19/h2-5,10,19H,1H3,(H,16,17,20)
InChIKeyXHRRTAGFSCSQSK-UHFFFAOYSA-N
MW301.68 g/mol
LogP2.97
Rot. Bonds3

About 5-chloro-N-[4-(difluoromethyl)-1-methylimidazol-2-yl]-2-hydroxybenzamide

5-chloro-N-[4-(difluoromethyl)-1-methylimidazol-2-yl]-2-hydroxybenzamide (PubChem CID 59581539) has the molecular formula C12H10ClF2N3O2 and a molecular weight of 301.68 g/mol. Its IUPAC name is 5-chloro-N-[4-(difluoromethyl)-1-methylimidazol-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-(difluoromethyl)-1-methylimidazol-2-yl]-2-hydroxybenzamide
PubChem CID59581539
Molecular FormulaC12H10ClF2N3O2
Molecular Weight301.68 g/mol
Exact Mass301.04
IUPAC Name5-chloro-N-[4-(difluoromethyl)-1-methylimidazol-2-yl]-2-hydroxybenzamide
SMILESCn1cc(C(F)F)nc1NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C12H10ClF2N3O2/c1-18-5-8(10(14)15)16-12(18)17-11(20)7-4-6(13)2-3-9(7)19/h2-5,10,19H,1H3,(H,16,17,20)
InChIKeyXHRRTAGFSCSQSK-UHFFFAOYSA-N
XLogP2.97
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.68
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(difluoromethyl)-1-methylimidazol-2-yl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[4-(difluoromethyl)-1-methylimidazol-2-yl]-2-hydroxybenzamide (CID 59581539) is 5-chloro-N-[4-(difluoromethyl)-1-methylimidazol-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[4-(difluoromethyl)-1-methylimidazol-2-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[4-(difluoromethyl)-1-methylimidazol-2-yl]-2-hydroxybenzamide is Cn1cc(C(F)F)nc1NC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[4-(difluoromethyl)-1-methylimidazol-2-yl]-2-hydroxybenzamide?
The InChIKey is XHRRTAGFSCSQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3O2/c1-18-5-8(10(14)15)16-12(18)17-11(20)7-4-6(13)2-3-9(7)19/h2-5,10,19H,1H3,(H,16,17,20).
What are the key properties of 5-chloro-N-[4-(difluoromethyl)-1-methylimidazol-2-yl]-2-hydroxybenzamide?
5-chloro-N-[4-(difluoromethyl)-1-methylimidazol-2-yl]-2-hydroxybenzamide has a molecular weight of 301.68 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(difluoromethyl)-1-methylimidazol-2-yl]-2-hydroxybenzamide is sourced from PubChem (CID 59581539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).