2-[1-(1-benzylimidazol-2-yl)ethenyl]-6-methylbenzonitrile

C20H17N3 — CID 66771515

IUPAC2-[1-(1-benzylimidazol-2-yl)ethenyl]-6-methylbenzonitrile
SMILESC=C(c1cccc(C)c1C#N)c1nccn1Cc1ccccc1
InChIInChI=1S/C20H17N3/c1-15-7-6-10-18(19(15)13-21)16(2)20-22-11-12-23(20)14-17-8-4-3-5-9-17/h3-12H,2,14H2,1H3
InChIKeySWHPAKQGTCKFER-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.17
Rot. Bonds4

About 2-[1-(1-benzylimidazol-2-yl)ethenyl]-6-methylbenzonitrile

2-[1-(1-benzylimidazol-2-yl)ethenyl]-6-methylbenzonitrile (PubChem CID 66771515) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[1-(1-benzylimidazol-2-yl)ethenyl]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[1-(1-benzylimidazol-2-yl)ethenyl]-6-methylbenzonitrile
PubChem CID66771515
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name2-[1-(1-benzylimidazol-2-yl)ethenyl]-6-methylbenzonitrile
SMILESC=C(c1cccc(C)c1C#N)c1nccn1Cc1ccccc1
InChIInChI=1S/C20H17N3/c1-15-7-6-10-18(19(15)13-21)16(2)20-22-11-12-23(20)14-17-8-4-3-5-9-17/h3-12H,2,14H2,1H3
InChIKeySWHPAKQGTCKFER-UHFFFAOYSA-N
XLogP4.17
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzylimidazol-2-yl)ethenyl]-6-methylbenzonitrile?
The IUPAC name of 2-[1-(1-benzylimidazol-2-yl)ethenyl]-6-methylbenzonitrile (CID 66771515) is 2-[1-(1-benzylimidazol-2-yl)ethenyl]-6-methylbenzonitrile.
What is the SMILES notation for 2-[1-(1-benzylimidazol-2-yl)ethenyl]-6-methylbenzonitrile?
The canonical SMILES for 2-[1-(1-benzylimidazol-2-yl)ethenyl]-6-methylbenzonitrile is C=C(c1cccc(C)c1C#N)c1nccn1Cc1ccccc1.
What is the InChIKey of 2-[1-(1-benzylimidazol-2-yl)ethenyl]-6-methylbenzonitrile?
The InChIKey is SWHPAKQGTCKFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-15-7-6-10-18(19(15)13-21)16(2)20-22-11-12-23(20)14-17-8-4-3-5-9-17/h3-12H,2,14H2,1H3.
What are the key properties of 2-[1-(1-benzylimidazol-2-yl)ethenyl]-6-methylbenzonitrile?
2-[1-(1-benzylimidazol-2-yl)ethenyl]-6-methylbenzonitrile has a molecular weight of 299.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzylimidazol-2-yl)ethenyl]-6-methylbenzonitrile is sourced from PubChem (CID 66771515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).