4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile

C23H14N4O — CID 4306404

IUPAC4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile
SMILESN#Cc1ccc(/N=c2\oc3ccccc3cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H14N4O/c24-14-15-9-11-17(12-10-15)25-23-18(13-16-5-1-4-8-21(16)28-23)22-26-19-6-2-3-7-20(19)27-22/h1-13H,(H,26,27)/b25-23-
InChIKeyLPOHKSVXKUXQCM-BZZOAKBMSA-N
MW362.39 g/mol
LogP5.08
Rot. Bonds2

About 4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile

4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile (PubChem CID 4306404) has the molecular formula C23H14N4O and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile.

Molecular Properties

Compound Name4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile
PubChem CID4306404
Molecular FormulaC23H14N4O
Molecular Weight362.39 g/mol
Exact Mass362.12
IUPAC Name4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile
SMILESN#Cc1ccc(/N=c2\oc3ccccc3cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H14N4O/c24-14-15-9-11-17(12-10-15)25-23-18(13-16-5-1-4-8-21(16)28-23)22-26-19-6-2-3-7-20(19)27-22/h1-13H,(H,26,27)/b25-23-
InChIKeyLPOHKSVXKUXQCM-BZZOAKBMSA-N
XLogP5.08
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.39
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile?
The IUPAC name of 4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile (CID 4306404) is 4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile.
What is the SMILES notation for 4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile?
The canonical SMILES for 4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile is N#Cc1ccc(/N=c2\oc3ccccc3cc2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile?
The InChIKey is LPOHKSVXKUXQCM-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H14N4O/c24-14-15-9-11-17(12-10-15)25-23-18(13-16-5-1-4-8-21(16)28-23)22-26-19-6-2-3-7-20(19)27-22/h1-13H,(H,26,27)/b25-23-.
What are the key properties of 4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile?
4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile has a molecular weight of 362.39 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzonitrile is sourced from PubChem (CID 4306404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).