3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide

C19H18FN3O — CID 17451841

IUPAC3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2nccn2C)cc1F
InChIInChI=1S/C19H18FN3O/c1-13-8-9-15(12-16(13)20)19(24)22-17(14-6-4-3-5-7-14)18-21-10-11-23(18)2/h3-12,17H,1-2H3,(H,22,24)
InChIKeyYIRMJLSGSINHPJ-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.39
Rot. Bonds4

About 3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide

3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide (PubChem CID 17451841) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
PubChem CID17451841
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2nccn2C)cc1F
InChIInChI=1S/C19H18FN3O/c1-13-8-9-15(12-16(13)20)19(24)22-17(14-6-4-3-5-7-14)18-21-10-11-23(18)2/h3-12,17H,1-2H3,(H,22,24)
InChIKeyYIRMJLSGSINHPJ-UHFFFAOYSA-N
XLogP3.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 25367440
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17406821
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 24597988
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
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
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide
CID 51926493

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide (CID 17451841) is 3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide is Cc1ccc(C(=O)NC(c2ccccc2)c2nccn2C)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
The InChIKey is YIRMJLSGSINHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-13-8-9-15(12-16(13)20)19(24)22-17(14-6-4-3-5-7-14)18-21-10-11-23(18)2/h3-12,17H,1-2H3,(H,22,24).
What are the key properties of 3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide?
3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide has a molecular weight of 323.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 17451841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).