N-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine

C19H14N4 — CID 917406

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine
SMILESC(=N/c1ccccc1-c1nc2ccccc2[nH]1)\c1cccnc1
InChIInChI=1S/C19H14N4/c1-2-8-16(21-13-14-6-5-11-20-12-14)15(7-1)19-22-17-9-3-4-10-18(17)23-19/h1-13H,(H,22,23)/b21-13+
InChIKeyQGKZYNRSNNQJKA-FYJGNVAPSA-N
MW298.35 g/mol
LogP4.38
Rot. Bonds3

About N-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine

N-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine (PubChem CID 917406) has the molecular formula C19H14N4 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine
PubChem CID917406
Molecular FormulaC19H14N4
Molecular Weight298.35 g/mol
Exact Mass298.12
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine
SMILESC(=N/c1ccccc1-c1nc2ccccc2[nH]1)\c1cccnc1
InChIInChI=1S/C19H14N4/c1-2-8-16(21-13-14-6-5-11-20-12-14)15(7-1)19-22-17-9-3-4-10-18(17)23-19/h1-13H,(H,22,23)/b21-13+
InChIKeyQGKZYNRSNNQJKA-FYJGNVAPSA-N
XLogP4.38
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine
CID 2852455
2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol
CID 5140596
(1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine
CID 121287803
2-(4-chloro-3-pyridinyl)-1H-benzimidazole
CID 67996480
N-(2-methoxyphenyl)-1-pyridin-3-ylmethanimine
CID 611302
2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 764281
N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 23826035
N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine
CID 19173128
2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole
CID 86342200
2-(3-methoxy-4-pyridinyl)-1H-benzimidazole
CID 105063747
N'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide
CID 169365402
2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol
CID 177450636

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine (CID 917406) is N-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine is C(=N/c1ccccc1-c1nc2ccccc2[nH]1)\c1cccnc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine?
The InChIKey is QGKZYNRSNNQJKA-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H14N4/c1-2-8-16(21-13-14-6-5-11-20-12-14)15(7-1)19-22-17-9-3-4-10-18(17)23-19/h1-13H,(H,22,23)/b21-13+.
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine?
N-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine has a molecular weight of 298.35 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine is sourced from PubChem (CID 917406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).