3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide

C16H13F2N3O2 — CID 131952585

IUPAC3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide
SMILESCC(O)c1nc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2[nH]1
InChIInChI=1S/C16H13F2N3O2/c1-8(22)15-20-13-5-3-10(7-14(13)21-15)19-16(23)9-2-4-11(17)12(18)6-9/h2-8,22H,1H3,(H,19,23)(H,20,21)
InChIKeyPLXSRZFMWHGGAT-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.15
Rot. Bonds3

About 3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide

3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 131952585) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide
PubChem CID131952585
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide
SMILESCC(O)c1nc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2[nH]1
InChIInChI=1S/C16H13F2N3O2/c1-8(22)15-20-13-5-3-10(7-14(13)21-15)19-16(23)9-2-4-11(17)12(18)6-9/h2-8,22H,1H3,(H,19,23)(H,20,21)
InChIKeyPLXSRZFMWHGGAT-UHFFFAOYSA-N
XLogP3.15
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765669
2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 168520800
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131930910
N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765672
[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea
CID 169356684
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131943885
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 131939383
3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110427991
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 131925459
2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 56561489
1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide (CID 131952585) is 3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide is CC(O)c1nc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2[nH]1.
What is the InChIKey of 3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is PLXSRZFMWHGGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c1-8(22)15-20-13-5-3-10(7-14(13)21-15)19-16(23)9-2-4-11(17)12(18)6-9/h2-8,22H,1H3,(H,19,23)(H,20,21).
What are the key properties of 3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide?
3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 317.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 131952585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).