4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile

C14H14N4 — CID 43650678

IUPAC4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
SMILESN#Cc1ccc(-c2cnc(C3CCCN3)[nH]2)cc1
InChIInChI=1S/C14H14N4/c15-8-10-3-5-11(6-4-10)13-9-17-14(18-13)12-2-1-7-16-12/h3-6,9,12,16H,1-2,7H2,(H,17,18)
InChIKeyIBIMNZXOLZRESW-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.37
Rot. Bonds2

About 4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile

4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile (PubChem CID 43650678) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
PubChem CID43650678
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
SMILESN#Cc1ccc(-c2cnc(C3CCCN3)[nH]2)cc1
InChIInChI=1S/C14H14N4/c15-8-10-3-5-11(6-4-10)13-9-17-14(18-13)12-2-1-7-16-12/h3-6,9,12,16H,1-2,7H2,(H,17,18)
InChIKeyIBIMNZXOLZRESW-UHFFFAOYSA-N
XLogP2.37
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile?
The IUPAC name of 4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile (CID 43650678) is 4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile.
What is the SMILES notation for 4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile?
The canonical SMILES for 4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile is N#Cc1ccc(-c2cnc(C3CCCN3)[nH]2)cc1.
What is the InChIKey of 4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile?
The InChIKey is IBIMNZXOLZRESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-8-10-3-5-11(6-4-10)13-9-17-14(18-13)12-2-1-7-16-12/h3-6,9,12,16H,1-2,7H2,(H,17,18).
What are the key properties of 4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile?
4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile is sourced from PubChem (CID 43650678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).