[4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane

C25H36N2Sn — CID 139823353

IUPAC[4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C13H9N2.3C4H9.Sn/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;3*1-3-4-2;/h2-9H,(H,14,15);3*1,3-4H2,2H3;
InChIKeyAVYZZYCHOJSELH-UHFFFAOYSA-N
MW483.29 g/mol
LogP7.29
Rot. Bonds11

About [4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane

[4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane (PubChem CID 139823353) has the molecular formula C25H36N2Sn and a molecular weight of 483.29 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane
PubChem CID139823353
Molecular FormulaC25H36N2Sn
Molecular Weight483.29 g/mol
Exact Mass484.19
IUPAC Name[4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C13H9N2.3C4H9.Sn/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;3*1-3-4-2;/h2-9H,(H,14,15);3*1,3-4H2,2H3;
InChIKeyAVYZZYCHOJSELH-UHFFFAOYSA-N
XLogP7.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.29
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
4-(1H-benzimidazol-2-yl)-N-butylbenzamide
CID 100577263
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453
2-(3-chloro-4-pentoxyphenyl)-1H-benzimidazole
CID 168553650
6-(1H-benzimidazol-2-yl)-2-octyl-1H-benzimidazole
CID 54132901
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane?
The IUPAC name of [4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane (CID 139823353) is [4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane is CCCC[Sn](CCCC)(CCCC)c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane?
The InChIKey is AVYZZYCHOJSELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N2.3C4H9.Sn/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;3*1-3-4-2;/h2-9H,(H,14,15);3*1,3-4H2,2H3;.
What are the key properties of [4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane?
[4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane has a molecular weight of 483.29 g/mol, XLogP of 7.29, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane is sourced from PubChem (CID 139823353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).