3-[3-[(Z)-benzimidazol-1-yliminomethyl]indol-1-yl]propanenitrile

C19H15N5 — CID 9023975

IUPAC3-[3-[(Z)-benzimidazol-1-yliminomethyl]indol-1-yl]propanenitrile
SMILESN#CCCn1cc(/C=N\n2cnc3ccccc32)c2ccccc21
InChIInChI=1S/C19H15N5/c20-10-5-11-23-13-15(16-6-1-3-8-18(16)23)12-22-24-14-21-17-7-2-4-9-19(17)24/h1-4,6-9,12-14H,5,11H2/b22-12-
InChIKeyJNIUAAWKOBZQFU-UUYOSTAYSA-N
MW313.36 g/mol
LogP3.79
Rot. Bonds4

About 3-[3-[(Z)-benzimidazol-1-yliminomethyl]indol-1-yl]propanenitrile

3-[3-[(Z)-benzimidazol-1-yliminomethyl]indol-1-yl]propanenitrile (PubChem CID 9023975) has the molecular formula C19H15N5 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[3-[(Z)-benzimidazol-1-yliminomethyl]indol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-[(Z)-benzimidazol-1-yliminomethyl]indol-1-yl]propanenitrile
PubChem CID9023975
Molecular FormulaC19H15N5
Molecular Weight313.36 g/mol
Exact Mass313.13
IUPAC Name3-[3-[(Z)-benzimidazol-1-yliminomethyl]indol-1-yl]propanenitrile
SMILESN#CCCn1cc(/C=N\n2cnc3ccccc32)c2ccccc21
InChIInChI=1S/C19H15N5/c20-10-5-11-23-13-15(16-6-1-3-8-18(16)23)12-22-24-14-21-17-7-2-4-9-19(17)24/h1-4,6-9,12-14H,5,11H2/b22-12-
InChIKeyJNIUAAWKOBZQFU-UUYOSTAYSA-N
XLogP3.79
TPSA58.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(benzotriazol-1-yl)-N-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]acetamide
CID 8976104
2-[[1-(2-cyanoethyl)indol-3-yl]methylidene]propanedinitrile
CID 30234194
N-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]benzamide
CID 9058755
3-[3-[(4-benzhydrylpiperazin-4-ium-1-yl)iminomethyl]indol-1-yl]propanenitrile
CID 2320764
N-[[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide
CID 2324051
(Z)-N-(benzimidazol-1-yl)-1-naphthalen-2-ylmethanimine
CID 9023831
(3R)-N-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9237203
(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 16575266
3-[3-[2-[3-(3-nitrophenyl)-4-oxoquinazolin-2-yl]ethenyl]indol-1-yl]propanenitrile
CID 3927697
(Z)-3-[1-(2-cyanoethyl)indol-3-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]prop-2-enamide
CID 137309635
(Z)-N-(benzimidazol-1-yl)-1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanimine
CID 9023766
(Z)-N-(benzimidazol-1-yl)-1-pyridin-3-ylmethanimine
CID 5422737

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(Z)-benzimidazol-1-yliminomethyl]indol-1-yl]propanenitrile?
The IUPAC name of 3-[3-[(Z)-benzimidazol-1-yliminomethyl]indol-1-yl]propanenitrile (CID 9023975) is 3-[3-[(Z)-benzimidazol-1-yliminomethyl]indol-1-yl]propanenitrile.
What is the SMILES notation for 3-[3-[(Z)-benzimidazol-1-yliminomethyl]indol-1-yl]propanenitrile?
The canonical SMILES for 3-[3-[(Z)-benzimidazol-1-yliminomethyl]indol-1-yl]propanenitrile is N#CCCn1cc(/C=N\n2cnc3ccccc32)c2ccccc21.
What is the InChIKey of 3-[3-[(Z)-benzimidazol-1-yliminomethyl]indol-1-yl]propanenitrile?
The InChIKey is JNIUAAWKOBZQFU-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H15N5/c20-10-5-11-23-13-15(16-6-1-3-8-18(16)23)12-22-24-14-21-17-7-2-4-9-19(17)24/h1-4,6-9,12-14H,5,11H2/b22-12-.
What are the key properties of 3-[3-[(Z)-benzimidazol-1-yliminomethyl]indol-1-yl]propanenitrile?
3-[3-[(Z)-benzimidazol-1-yliminomethyl]indol-1-yl]propanenitrile has a molecular weight of 313.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(Z)-benzimidazol-1-yliminomethyl]indol-1-yl]propanenitrile is sourced from PubChem (CID 9023975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).