4-(1H-benzimidazol-2-yloxy)-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide

C19H12ClFN4O2 — CID 10199933

IUPAC4-(1H-benzimidazol-2-yloxy)-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(Oc2nc3ccccc3[nH]2)c(F)c1
InChIInChI=1S/C19H12ClFN4O2/c20-17-8-6-12(10-22-17)23-18(26)11-5-7-16(13(21)9-11)27-19-24-14-3-1-2-4-15(14)25-19/h1-10H,(H,23,26)(H,24,25)
InChIKeyAHENTBFWGPIORT-UHFFFAOYSA-N
MW382.78 g/mol
LogP4.80
Rot. Bonds4

About 4-(1H-benzimidazol-2-yloxy)-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide

4-(1H-benzimidazol-2-yloxy)-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide (PubChem CID 10199933) has the molecular formula C19H12ClFN4O2 and a molecular weight of 382.78 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yloxy)-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yloxy)-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide
PubChem CID10199933
Molecular FormulaC19H12ClFN4O2
Molecular Weight382.78 g/mol
Exact Mass382.06
IUPAC Name4-(1H-benzimidazol-2-yloxy)-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(Oc2nc3ccccc3[nH]2)c(F)c1
InChIInChI=1S/C19H12ClFN4O2/c20-17-8-6-12(10-22-17)23-18(26)11-5-7-16(13(21)9-11)27-19-24-14-3-1-2-4-15(14)25-19/h1-10H,(H,23,26)(H,24,25)
InChIKeyAHENTBFWGPIORT-UHFFFAOYSA-N
XLogP4.80
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.78
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide
CID 78961453
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
4-(2-chlorophenyl)sulfinyl-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide
CID 10158398
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-chloro-4-ethoxybenzamide
CID 1352608
4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 100578045
3-bromo-4-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113329917
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 3719290
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46290614
N-(6-chloro-3-pyridinyl)-3-fluoro-4-(pyrazin-2-ylmethylsulfanyl)benzamide
CID 18378790
6-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64782062

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yloxy)-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide?
The IUPAC name of 4-(1H-benzimidazol-2-yloxy)-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide (CID 10199933) is 4-(1H-benzimidazol-2-yloxy)-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yloxy)-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yloxy)-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide is O=C(Nc1ccc(Cl)nc1)c1ccc(Oc2nc3ccccc3[nH]2)c(F)c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yloxy)-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide?
The InChIKey is AHENTBFWGPIORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O2/c20-17-8-6-12(10-22-17)23-18(26)11-5-7-16(13(21)9-11)27-19-24-14-3-1-2-4-15(14)25-19/h1-10H,(H,23,26)(H,24,25).
What are the key properties of 4-(1H-benzimidazol-2-yloxy)-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide?
4-(1H-benzimidazol-2-yloxy)-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide has a molecular weight of 382.78 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yloxy)-N-(6-chloro-3-pyridinyl)-3-fluorobenzamide is sourced from PubChem (CID 10199933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).