2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide

C17H15F2N3O2 — CID 90653335

IUPAC2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide
SMILESCOc1ccc(F)c(F)c1C(=O)NCc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C17H15F2N3O2/c1-9-21-12-5-3-10(7-13(12)22-9)8-20-17(23)15-14(24-2)6-4-11(18)16(15)19/h3-7H,8H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRPCAKNISJAWPIT-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.09
Rot. Bonds4

About 2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide

2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide (PubChem CID 90653335) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is 2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide
PubChem CID90653335
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide
SMILESCOc1ccc(F)c(F)c1C(=O)NCc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C17H15F2N3O2/c1-9-21-12-5-3-10(7-13(12)22-9)8-20-17(23)15-14(24-2)6-4-11(18)16(15)19/h3-7H,8H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRPCAKNISJAWPIT-UHFFFAOYSA-N
XLogP3.09
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613
2-(2-aminoethoxy)-4-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide
CID 118763514
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 163312396
(2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide
CID 99995565
N-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 110772643
2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785663
1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 115182270
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide
CID 131891690
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 74246041

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide?
The IUPAC name of 2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide (CID 90653335) is 2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide?
The canonical SMILES for 2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide is COc1ccc(F)c(F)c1C(=O)NCc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of 2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide?
The InChIKey is RPCAKNISJAWPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c1-9-21-12-5-3-10(7-13(12)22-9)8-20-17(23)15-14(24-2)6-4-11(18)16(15)19/h3-7H,8H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide?
2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide has a molecular weight of 331.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide is sourced from PubChem (CID 90653335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).