1-benzylbenzimidazole

C14H12N2 — CID 563347

IUPAC1-benzylbenzimidazole
SMILESc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C14H12N2/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2
InChIKeyMNEIJGDSFRHGMS-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.08
Rot. Bonds2

About 1-benzylbenzimidazole

1-benzylbenzimidazole (PubChem CID 563347) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-benzylbenzimidazole.

Molecular Properties

Compound Name1-benzylbenzimidazole
PubChem CID563347
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name1-benzylbenzimidazole
SMILESc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C14H12N2/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2
InChIKeyMNEIJGDSFRHGMS-UHFFFAOYSA-N
XLogP3.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Phenylbenzimidazole
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5-Methylbenzimidazole
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2-(4-Fluoro-phenyl)-1H-benzoimidazole
CID 101259

Frequently Asked Questions

What is the IUPAC name of 1-benzylbenzimidazole?
The IUPAC name of 1-benzylbenzimidazole (CID 563347) is 1-benzylbenzimidazole.
What is the SMILES notation for 1-benzylbenzimidazole?
The canonical SMILES for 1-benzylbenzimidazole is c1ccc(Cn2cnc3ccccc32)cc1.
What is the InChIKey of 1-benzylbenzimidazole?
The InChIKey is MNEIJGDSFRHGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2.
What are the key properties of 1-benzylbenzimidazole?
1-benzylbenzimidazole has a molecular weight of 208.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylbenzimidazole is sourced from PubChem (CID 563347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).