2-amino-5-(1H-benzimidazol-2-yl)pentanenitrile

C12H14N4 — CID 150592787

IUPAC2-amino-5-(1H-benzimidazol-2-yl)pentanenitrile
SMILESN#CC(N)CCCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H14N4/c13-8-9(14)4-3-7-12-15-10-5-1-2-6-11(10)16-12/h1-2,5-6,9H,3-4,7,14H2,(H,15,16)
InChIKeyIQFHOZNMEYTSAB-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.74
Rot. Bonds4

About 2-amino-5-(1H-benzimidazol-2-yl)pentanenitrile

2-amino-5-(1H-benzimidazol-2-yl)pentanenitrile (PubChem CID 150592787) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-amino-5-(1H-benzimidazol-2-yl)pentanenitrile.

Molecular Properties

Compound Name2-amino-5-(1H-benzimidazol-2-yl)pentanenitrile
PubChem CID150592787
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-amino-5-(1H-benzimidazol-2-yl)pentanenitrile
SMILESN#CC(N)CCCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H14N4/c13-8-9(14)4-3-7-12-15-10-5-1-2-6-11(10)16-12/h1-2,5-6,9H,3-4,7,14H2,(H,15,16)
InChIKeyIQFHOZNMEYTSAB-UHFFFAOYSA-N
XLogP1.74
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium
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2-(1H-benzimidazol-2-yl)acetonitrile
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1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine
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ethyl 5-(1H-benzimidazol-2-yl)-2-sulfanylpentanoate
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CID 87640795
1H-benzimidazol-2-ylmethanamine;hydrate
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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1H-benzimidazol-2-yl)pentanenitrile?
The IUPAC name of 2-amino-5-(1H-benzimidazol-2-yl)pentanenitrile (CID 150592787) is 2-amino-5-(1H-benzimidazol-2-yl)pentanenitrile.
What is the SMILES notation for 2-amino-5-(1H-benzimidazol-2-yl)pentanenitrile?
The canonical SMILES for 2-amino-5-(1H-benzimidazol-2-yl)pentanenitrile is N#CC(N)CCCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-amino-5-(1H-benzimidazol-2-yl)pentanenitrile?
The InChIKey is IQFHOZNMEYTSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-8-9(14)4-3-7-12-15-10-5-1-2-6-11(10)16-12/h1-2,5-6,9H,3-4,7,14H2,(H,15,16).
What are the key properties of 2-amino-5-(1H-benzimidazol-2-yl)pentanenitrile?
2-amino-5-(1H-benzimidazol-2-yl)pentanenitrile has a molecular weight of 214.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1H-benzimidazol-2-yl)pentanenitrile is sourced from PubChem (CID 150592787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).