N-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide

C19H14N4O2 — CID 58858401

IUPACN-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide
SMILESO=C(Nc1cccc(Oc2cccnc2)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H14N4O2/c24-19(18-22-16-8-1-2-9-17(16)23-18)21-13-5-3-6-14(11-13)25-15-7-4-10-20-12-15/h1-12H,(H,21,24)(H,22,23)
InChIKeyWLMIHRNRVDRYJR-UHFFFAOYSA-N
MW330.35 g/mol
LogP4.00
Rot. Bonds4

About N-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide

N-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide (PubChem CID 58858401) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide
PubChem CID58858401
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC NameN-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide
SMILESO=C(Nc1cccc(Oc2cccnc2)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H14N4O2/c24-19(18-22-16-8-1-2-9-17(16)23-18)21-13-5-3-6-14(11-13)25-15-7-4-10-20-12-15/h1-12H,(H,21,24)(H,22,23)
InChIKeyWLMIHRNRVDRYJR-UHFFFAOYSA-N
XLogP4.00
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide
CID 68706160
6-chloro-N-(4-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide
CID 68706033
N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468819
N-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide
CID 56711500
N-pyrazin-2-yl-1H-benzimidazole-2-carboxamide
CID 14371322
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337716
N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468823
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337430
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
N-(3-fluorophenyl)-4-pyridin-3-yloxypyridine-2-carboxamide
CID 51038609

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide (CID 58858401) is N-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide is O=C(Nc1cccc(Oc2cccnc2)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide?
The InChIKey is WLMIHRNRVDRYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-19(18-22-16-8-1-2-9-17(16)23-18)21-13-5-3-6-14(11-13)25-15-7-4-10-20-12-15/h1-12H,(H,21,24)(H,22,23).
What are the key properties of N-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide?
N-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-3-yloxyphenyl)-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 58858401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).