N-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine

C14H12N4 — CID 749135

IUPACN-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine
SMILESCc1nc2ccccc2n1N=Cc1cccnc1
InChIInChI=1S/C14H12N4/c1-11-17-13-6-2-3-7-14(13)18(11)16-10-12-5-4-8-15-9-12/h2-10H,1H3
InChIKeyHMIFVUHADIRVRG-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.62
Rot. Bonds2

About N-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine

N-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine (PubChem CID 749135) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound NameN-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine
PubChem CID749135
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC NameN-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine
SMILESCc1nc2ccccc2n1N=Cc1cccnc1
InChIInChI=1S/C14H12N4/c1-11-17-13-6-2-3-7-14(13)18(11)16-10-12-5-4-8-15-9-12/h2-10H,1H3
InChIKeyHMIFVUHADIRVRG-UHFFFAOYSA-N
XLogP2.62
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine?
The IUPAC name of N-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine (CID 749135) is N-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine.
What is the SMILES notation for N-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine?
The canonical SMILES for N-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine is Cc1nc2ccccc2n1N=Cc1cccnc1.
What is the InChIKey of N-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine?
The InChIKey is HMIFVUHADIRVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-11-17-13-6-2-3-7-14(13)18(11)16-10-12-5-4-8-15-9-12/h2-10H,1H3.
What are the key properties of N-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine?
N-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine has a molecular weight of 236.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine is sourced from PubChem (CID 749135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).