2-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyridine-4-carboxamide

C19H13ClN4O3 — CID 46228697

IUPAC2-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1ccnc(Cl)c1
InChIInChI=1S/C19H13ClN4O3/c20-16-9-11(7-8-21-16)18(25)22-12-3-1-4-13(10-12)27-15-6-2-5-14-17(15)24-19(26)23-14/h1-10H,(H,22,25)(H2,23,24,26)
InChIKeyQQFMNBIVWYJNNT-UHFFFAOYSA-N
MW380.79 g/mol
LogP3.95
Rot. Bonds4

About 2-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyridine-4-carboxamide

2-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyridine-4-carboxamide (PubChem CID 46228697) has the molecular formula C19H13ClN4O3 and a molecular weight of 380.79 g/mol. Its IUPAC name is 2-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyridine-4-carboxamide
PubChem CID46228697
Molecular FormulaC19H13ClN4O3
Molecular Weight380.79 g/mol
Exact Mass380.07
IUPAC Name2-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1ccnc(Cl)c1
InChIInChI=1S/C19H13ClN4O3/c20-16-9-11(7-8-21-16)18(25)22-12-3-1-4-13(10-12)27-15-6-2-5-14-17(15)24-19(26)23-14/h1-10H,(H,22,25)(H2,23,24,26)
InChIKeyQQFMNBIVWYJNNT-UHFFFAOYSA-N
XLogP3.95
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.79
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyridine-4-carboxamide (CID 46228697) is 2-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyridine-4-carboxamide?
The InChIKey is QQFMNBIVWYJNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O3/c20-16-9-11(7-8-21-16)18(25)22-12-3-1-4-13(10-12)27-15-6-2-5-14-17(15)24-19(26)23-14/h1-10H,(H,22,25)(H2,23,24,26).
What are the key properties of 2-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyridine-4-carboxamide?
2-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyridine-4-carboxamide has a molecular weight of 380.79 g/mol, XLogP of 3.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 46228697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).