4-(1H-benzimidazol-2-yl)butanenitrile

C11H11N3 — CID 12683083

IUPAC4-(1H-benzimidazol-2-yl)butanenitrile
SMILESN#CCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H11N3/c12-8-4-3-7-11-13-9-5-1-2-6-10(9)14-11/h1-2,5-6H,3-4,7H2,(H,13,14)
InChIKeyVZTNSUAONZCXPE-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.41
Rot. Bonds3

About 4-(1H-benzimidazol-2-yl)butanenitrile

4-(1H-benzimidazol-2-yl)butanenitrile (PubChem CID 12683083) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)butanenitrile.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)butanenitrile
PubChem CID12683083
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name4-(1H-benzimidazol-2-yl)butanenitrile
SMILESN#CCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H11N3/c12-8-4-3-7-11-13-9-5-1-2-6-10(9)14-11/h1-2,5-6H,3-4,7H2,(H,13,14)
InChIKeyVZTNSUAONZCXPE-UHFFFAOYSA-N
XLogP2.41
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-amino-5-(1H-benzimidazol-2-yl)pentanenitrile
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2-(1H-benzimidazol-2-yl)acetonitrile
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2-(10-phenyldecyl)-1H-benzimidazole
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2-docosyl-1H-benzimidazole
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2-[3-[3-(1H-benzimidazol-2-yl)propyldisulfanyl]propyl]-1H-benzimidazole
CID 14761294
3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
CID 70659054
CID 87640795
CID 87640795
2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium
CID 70879958
2-[3-(1H-indol-2-yl)propyl]-1H-benzimidazole
CID 54246993
2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole
CID 139672369

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)butanenitrile?
The IUPAC name of 4-(1H-benzimidazol-2-yl)butanenitrile (CID 12683083) is 4-(1H-benzimidazol-2-yl)butanenitrile.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)butanenitrile?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)butanenitrile is N#CCCCc1nc2ccccc2[nH]1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)butanenitrile?
The InChIKey is VZTNSUAONZCXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c12-8-4-3-7-11-13-9-5-1-2-6-10(9)14-11/h1-2,5-6H,3-4,7H2,(H,13,14).
What are the key properties of 4-(1H-benzimidazol-2-yl)butanenitrile?
4-(1H-benzimidazol-2-yl)butanenitrile has a molecular weight of 185.23 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)butanenitrile is sourced from PubChem (CID 12683083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).