2-benzyl-1H-benzimidazole

C14H12N2 — CID 12132

💊View drug profile → bendazol
IUPAC2-benzyl-1H-benzimidazole
SMILESc1ccc(Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)
InChIKeyYTLQFZVCLXFFRK-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.15
Rot. Bonds2

About 2-benzyl-1H-benzimidazole

2-benzyl-1H-benzimidazole (PubChem CID 12132) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-benzyl-1H-benzimidazole.

Molecular Properties

Compound Name2-benzyl-1H-benzimidazole
PubChem CID12132
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name2-benzyl-1H-benzimidazole
SMILESc1ccc(Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)
InChIKeyYTLQFZVCLXFFRK-UHFFFAOYSA-N
XLogP3.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Amino-9H-pyrido(2,3-b)indole
CID 62805
2-Aminobenzimidazole
CID 13624
2-Phenylbenzimidazole-5-Sulfonic Acid
CID 33919
5,6-Dimethylbenzimidazole
CID 675
Parbendazole
CID 26596
Lerisetron
CID 65997
2-Methylbenzimidazole
CID 11984
2-Phenylbenzimidazole
CID 12855
5-Methylbenzimidazole
CID 11979
Benzimidazole, 2-butyl-
CID 22122
2-(Trifluoromethyl)-1H-benzimidazole
CID 67560
2-Ethylbenzimidazole
CID 15807

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1H-benzimidazole?
The IUPAC name of 2-benzyl-1H-benzimidazole (CID 12132) is 2-benzyl-1H-benzimidazole.
What is the SMILES notation for 2-benzyl-1H-benzimidazole?
The canonical SMILES for 2-benzyl-1H-benzimidazole is c1ccc(Cc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-benzyl-1H-benzimidazole?
The InChIKey is YTLQFZVCLXFFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16).
What are the key properties of 2-benzyl-1H-benzimidazole?
2-benzyl-1H-benzimidazole has a molecular weight of 208.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1H-benzimidazole is sourced from PubChem (CID 12132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).