(Z)-2-(1H-benzimidazol-2-yl)-3-(3-propan-2-yloxyphenyl)prop-2-enenitrile

C19H17N3O — CID 110538453

IUPAC(Z)-2-(1H-benzimidazol-2-yl)-3-(3-propan-2-yloxyphenyl)prop-2-enenitrile
SMILESCC(C)Oc1cccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H17N3O/c1-13(2)23-16-7-5-6-14(11-16)10-15(12-20)19-21-17-8-3-4-9-18(17)22-19/h3-11,13H,1-2H3,(H,21,22)/b15-10-
InChIKeyWEEXAEPGJFEXOG-GDNBJRDFSA-N
MW303.37 g/mol
LogP4.41
Rot. Bonds4

About (Z)-2-(1H-benzimidazol-2-yl)-3-(3-propan-2-yloxyphenyl)prop-2-enenitrile

(Z)-2-(1H-benzimidazol-2-yl)-3-(3-propan-2-yloxyphenyl)prop-2-enenitrile (PubChem CID 110538453) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (Z)-2-(1H-benzimidazol-2-yl)-3-(3-propan-2-yloxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(1H-benzimidazol-2-yl)-3-(3-propan-2-yloxyphenyl)prop-2-enenitrile
PubChem CID110538453
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(Z)-2-(1H-benzimidazol-2-yl)-3-(3-propan-2-yloxyphenyl)prop-2-enenitrile
SMILESCC(C)Oc1cccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H17N3O/c1-13(2)23-16-7-5-6-14(11-16)10-15(12-20)19-21-17-8-3-4-9-18(17)22-19/h3-11,13H,1-2H3,(H,21,22)/b15-10-
InChIKeyWEEXAEPGJFEXOG-GDNBJRDFSA-N
XLogP4.41
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)prop-2-enenitrile
CID 86775933
2-(1H-benzimidazol-2-yl)-3-[2,4-di(propan-2-yloxy)phenyl]prop-2-enenitrile
CID 2966921
(E)-2-(1H-benzimidazol-2-yl)-3-(3-thiophen-2-ylphenyl)prop-2-enenitrile
CID 110170088
2-(1H-benzimidazol-2-yl)-3-[4-(3-methylbutoxy)phenyl]prop-2-enenitrile
CID 3480917
(Z)-2-(6-methoxy-1H-benzimidazol-2-yl)-3-(3-phenoxyphenyl)prop-2-enenitrile
CID 126396585
(E)-2-(1H-benzimidazol-2-yl)-3-[3-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 6258367
2-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile
CID 2789977
(Z)-2-(1H-benzimidazol-2-yl)-3-(3,5-dibromo-2-propan-2-yloxyphenyl)prop-2-enenitrile
CID 18527079
(Z)-2-(1H-benzimidazol-2-yl)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enenitrile
CID 135482391
4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile
CID 3149504
(E)-3-(3-propan-2-yloxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 47448589
2-(1H-benzimidazol-2-yl)-3-quinoxalin-6-ylprop-2-enenitrile
CID 4897168

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1H-benzimidazol-2-yl)-3-(3-propan-2-yloxyphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(1H-benzimidazol-2-yl)-3-(3-propan-2-yloxyphenyl)prop-2-enenitrile (CID 110538453) is (Z)-2-(1H-benzimidazol-2-yl)-3-(3-propan-2-yloxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(1H-benzimidazol-2-yl)-3-(3-propan-2-yloxyphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(1H-benzimidazol-2-yl)-3-(3-propan-2-yloxyphenyl)prop-2-enenitrile is CC(C)Oc1cccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1.
What is the InChIKey of (Z)-2-(1H-benzimidazol-2-yl)-3-(3-propan-2-yloxyphenyl)prop-2-enenitrile?
The InChIKey is WEEXAEPGJFEXOG-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13(2)23-16-7-5-6-14(11-16)10-15(12-20)19-21-17-8-3-4-9-18(17)22-19/h3-11,13H,1-2H3,(H,21,22)/b15-10-.
What are the key properties of (Z)-2-(1H-benzimidazol-2-yl)-3-(3-propan-2-yloxyphenyl)prop-2-enenitrile?
(Z)-2-(1H-benzimidazol-2-yl)-3-(3-propan-2-yloxyphenyl)prop-2-enenitrile has a molecular weight of 303.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1H-benzimidazol-2-yl)-3-(3-propan-2-yloxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 110538453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).