3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide

C18H15F2N3O — CID 17495226

IUPAC3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCn1ccnc1C(NC(=O)c1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C18H15F2N3O/c1-23-8-7-21-17(23)16(12-5-3-2-4-6-12)22-18(24)13-9-14(19)11-15(20)10-13/h2-11,16H,1H3,(H,22,24)
InChIKeyUJFZMCGIPXXDRP-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.22
Rot. Bonds4

About 3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide

3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide (PubChem CID 17495226) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
PubChem CID17495226
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCn1ccnc1C(NC(=O)c1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C18H15F2N3O/c1-23-8-7-21-17(23)16(12-5-3-2-4-6-12)22-18(24)13-9-14(19)11-15(20)10-13/h2-11,16H,1H3,(H,22,24)
InChIKeyUJFZMCGIPXXDRP-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17451841
2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17406821
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 46631561
4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25324448
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide
CID 40821023
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide (CID 17495226) is 3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide is Cn1ccnc1C(NC(=O)c1cc(F)cc(F)c1)c1ccccc1.
What is the InChIKey of 3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The InChIKey is UJFZMCGIPXXDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-23-8-7-21-17(23)16(12-5-3-2-4-6-12)22-18(24)13-9-14(19)11-15(20)10-13/h2-11,16H,1H3,(H,22,24).
What are the key properties of 3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide has a molecular weight of 327.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 17495226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).