3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile

C19H12N4 — CID 139495116

IUPAC3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2ncccc2-c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C19H12N4/c20-11-13-3-1-4-15(9-13)19-16(5-2-8-21-19)14-6-7-17-18(10-14)23-12-22-17/h1-10,12H,(H,22,23)
InChIKeyNJPXCAXWNASIEE-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.16
Rot. Bonds2

About 3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile

3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile (PubChem CID 139495116) has the molecular formula C19H12N4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile
PubChem CID139495116
Molecular FormulaC19H12N4
Molecular Weight296.33 g/mol
Exact Mass296.11
IUPAC Name3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2ncccc2-c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C19H12N4/c20-11-13-3-1-4-15(9-13)19-16(5-2-8-21-19)14-6-7-17-18(10-14)23-12-22-17/h1-10,12H,(H,22,23)
InChIKeyNJPXCAXWNASIEE-UHFFFAOYSA-N
XLogP4.16
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile?
The IUPAC name of 3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile (CID 139495116) is 3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile?
The canonical SMILES for 3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile is N#Cc1cccc(-c2ncccc2-c2ccc3nc[nH]c3c2)c1.
What is the InChIKey of 3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile?
The InChIKey is NJPXCAXWNASIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4/c20-11-13-3-1-4-15(9-13)19-16(5-2-8-21-19)14-6-7-17-18(10-14)23-12-22-17/h1-10,12H,(H,22,23).
What are the key properties of 3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile?
3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile has a molecular weight of 296.33 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3H-benzimidazol-5-yl)-2-pyridinyl]benzonitrile is sourced from PubChem (CID 139495116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).