N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide

C15H10ClF2N3O — CID 78769893

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H10ClF2N3O/c16-9-6-11(18)10(17)5-8(9)15(22)19-7-14-20-12-3-1-2-4-13(12)21-14/h1-6H,7H2,(H,19,22)(H,20,21)
InChIKeyYLWYZBIEMRVTEC-UHFFFAOYSA-N
MW321.71 g/mol
LogP3.42
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide

N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide (PubChem CID 78769893) has the molecular formula C15H10ClF2N3O and a molecular weight of 321.71 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide
PubChem CID78769893
Molecular FormulaC15H10ClF2N3O
Molecular Weight321.71 g/mol
Exact Mass321.05
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H10ClF2N3O/c16-9-6-11(18)10(17)5-8(9)15(22)19-7-14-20-12-3-1-2-4-13(12)21-14/h1-6H,7H2,(H,19,22)(H,20,21)
InChIKeyYLWYZBIEMRVTEC-UHFFFAOYSA-N
XLogP3.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide
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N-(1H-benzimidazol-2-ylmethyl)-4-chloro-2-nitrobenzamide
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N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 5297506
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide
CID 26264638
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CID 134018137
N-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 21008793
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-chloro-4,5-difluorobenzamide
CID 2330762
N-[1-(1H-benzimidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
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CID 103908650

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide (CID 78769893) is N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide is O=C(NCc1nc2ccccc2[nH]1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide?
The InChIKey is YLWYZBIEMRVTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3O/c16-9-6-11(18)10(17)5-8(9)15(22)19-7-14-20-12-3-1-2-4-13(12)21-14/h1-6H,7H2,(H,19,22)(H,20,21).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide?
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide has a molecular weight of 321.71 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide is sourced from PubChem (CID 78769893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).