(Z)-2-(1-methylbenzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enenitrile

C18H15N3 — CID 92972808

IUPAC(Z)-2-(1-methylbenzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enenitrile
SMILESCc1cccc(/C=C(/C#N)c2nc3ccccc3n2C)c1
InChIInChI=1S/C18H15N3/c1-13-6-5-7-14(10-13)11-15(12-19)18-20-16-8-3-4-9-17(16)21(18)2/h3-11H,1-2H3/b15-11-
InChIKeyZFMOMRDHIDQZJR-PTNGSMBKSA-N
MW273.34 g/mol
LogP3.95
Rot. Bonds2

About (Z)-2-(1-methylbenzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enenitrile

(Z)-2-(1-methylbenzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enenitrile (PubChem CID 92972808) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is (Z)-2-(1-methylbenzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(1-methylbenzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enenitrile
PubChem CID92972808
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name(Z)-2-(1-methylbenzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enenitrile
SMILESCc1cccc(/C=C(/C#N)c2nc3ccccc3n2C)c1
InChIInChI=1S/C18H15N3/c1-13-6-5-7-14(10-13)11-15(12-19)18-20-16-8-3-4-9-17(16)21(18)2/h3-11H,1-2H3/b15-11-
InChIKeyZFMOMRDHIDQZJR-PTNGSMBKSA-N
XLogP3.95
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1-methylbenzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(1-methylbenzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enenitrile (CID 92972808) is (Z)-2-(1-methylbenzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(1-methylbenzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(1-methylbenzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enenitrile is Cc1cccc(/C=C(/C#N)c2nc3ccccc3n2C)c1.
What is the InChIKey of (Z)-2-(1-methylbenzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enenitrile?
The InChIKey is ZFMOMRDHIDQZJR-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H15N3/c1-13-6-5-7-14(10-13)11-15(12-19)18-20-16-8-3-4-9-17(16)21(18)2/h3-11H,1-2H3/b15-11-.
What are the key properties of (Z)-2-(1-methylbenzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enenitrile?
(Z)-2-(1-methylbenzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enenitrile has a molecular weight of 273.34 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1-methylbenzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enenitrile is sourced from PubChem (CID 92972808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).